CAS: 128-13-2 Summenformel: C24H40O4 Molekulargewicht (g/mol): 392.58 MDL-Nummer: MFCD00003680 InChI-Schlüssel: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonym: ursodesoxycholic acid, urso forte, urso, ursodeoxycholate, delursan, ursolvan, ursofalk, actigall, ursodiol, ursodeoxycholic acid PubChem CID: 31401 ChEBI: CHEBI:9907 IUPAC-Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]Pentanosäure SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

CAS: 57-87-4 Summenformel: C₂₈H₄₄O Molekulargewicht (g/mol): 396.64 MDL-Nummer: MFCD00003623 InChI-Schlüssel: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosta-5,7,22-trien-3-ol, 3b,22e, 22e-ergosta-5,7,22-trien-3beta-ol, 22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol, 3beta-hydroxy-5,7,22-ergostatriene, 5,7,22-ergostatrien-3beta-ol, ergosta-5,7,22e-trien-3beta-ol, ergosterin, unii-z30ray509f, provitamin d2, ergosterol PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC-Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-Cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

CAS: 434-13-9 Summenformel: C24H40O3 Molekulargewicht (g/mol): 376.581 MDL-Nummer: MFCD00003682 InChI-Schlüssel: SMEROWZSTRWXGI-HVATVPOCSA-N Synonym: 3alpha-hydroxy-5beta-cholanoic acid, 5beta-cholanic acid-3alpha-ol, 3-alpha-hydroxycholanic acid, 5beta-Cholansäure-3alpha-ol, 3alpha-Hydroxycholansäure, 3-Hydroxycholan-24-oic-säure, 3alpha-Hydroxy-5-beta-cholan-24-oic-säure, 3alpha-Hydroxy-5-beta-cholansäure, Lithocholat, Lithocholsäure PubChem CID: 9903 ChEBI: CHEBI:16325 IUPAC-Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]phenanthren-17-yl]pentansäure SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

CAS: 17994-25-1 Summenformel: C4H5O3 Molekulargewicht (g/mol): 101.08 MDL-Nummer: MFCD00010797 InChI-Schlüssel: GQXURJDNDYACGE-UHFFFAOYSA-M Synonym: 1-hydroxycyclo-propanecarboxylic acid, 1-hydroxycyclopropanecaboxylic acid, 1-carboxy-1-hydroxycyclopropane, acmc-20a5ho, pubchem12465, 1-hydroxy-1-cyclopropyl carboxylic acid, cyclopropanecarboxylic acid, 1-hydroxy, 1-hydroxy-cyclopropanecarboxylic acid, 1-hydroxycyclopropanecarboxylic acid, 1-hydroxy-1-cyclopropanecarboxylic acid PubChem CID: 2733160 IUPAC-Name: 1-Hydroxycyclopropan-1-Carbonsäure SMILES: OC1(CC1)C([O-])=O

CAS: 30282-14-5 Summenformel: C6H10O2 Molekulargewicht (g/mol): 114.144 MDL-Nummer: MFCD00151157 InChI-Schlüssel: ODZTXUXIYGJLMC-UHFFFAOYSA-N Synonym: acmc-20n5uh, zlchem 1128, cyclohexanone, dimer, cyclohexanone, 2-hydroxy-, dimer, cyclohexanone, 2-hydroxy-, 2r, 2-hydroxy-cyclohexanone, cyclohexanone, 2-hydroxy, 2-hydroxy-1-cyclohexanone, adipoin, 2-hydroxycyclohexanone PubChem CID: 10785 ChEBI: CHEBI:17878 IUPAC-Name: 2-Hydroxycyclohexan-1-on SMILES: C1CCC(=O)C(C1)O

CAS: 13080-90-5 Summenformel: C7H10O Molekulargewicht (g/mol): 110.156 MDL-Nummer: MFCD00167566 InChI-Schlüssel: MKOSBHNWXFSHSW-UHFFFAOYSA-N Synonym: 5-norbornen-2-ol exo, bicyclo 2.2.1 hept-5-en-2-ol, exo, bicyclo 2.2.1 hept-2-en-5-ol, exo-2-norbornenol, 5-norbornen-2-ol, exo, 5-norbornen-2-ol, bicyclo 2.2.1 hept-5-en-2-ol, 5-norbornene-2-ol PubChem CID: 96066 IUPAC-Name: bicyclo[2.2.1]hept-2-en-5-ol SMILES: C1C2CC(C1C=C2)O

CAS: 83-44-3 Summenformel: C24H40O4 Molekulargewicht (g/mol): 392.58 MDL-Nummer: MFCD00003673 InChI-Schlüssel: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonym: pyrochol, droxolan, deoxycholatic acid, degalol, cholorebic, cholerebic, choleic acid, desoxycholic acid, deoxycholate, deoxycholic acid PubChem CID: 222528 ChEBI: CHEBI:28834 SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS: 57-88-5 Summenformel: C27H46O InChI-Schlüssel: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterol, cholesterine, dusoline, cholesterin, dusoran, cholesteryl alcohol, cordulan, cholest-5-en-3beta-ol, cholestrin, provitamin d PubChem CID: 5997 ChEBI: CHEBI:16113

CAS: 22428-87-1 Summenformel: C8H14O3 Molekulargewicht (g/mol): 158.20 MDL-Nummer: MFCD00067003 InChI-Schlüssel: HKQTYQDNCKMNHZ-UHFFFAOYSA-N Synonym: 4,4-ethylenedioxycyclohexanol, acmc-1chv5, pubchem20110, 8-hydroxy-1,4-dioxaspiro 4.5 decane, 4-hydroxycyclohexanone monoethylene ketal, 4-hydroxycyclohexanone ethylene acetal, 1,4-dioxa-spiro 4.5 decan-8-ol, 1,4-dioxaspiro 4.5 decan-8-ol PubChem CID: 567352 IUPAC-Name: 1,4-dioxaspiro[4.5]decan-8-ol SMILES: OC1CCC2(CC1)OCCO2

CAS: 374-32-3 Summenformel: C4H4F4O Molekulargewicht (g/mol): 144.069 MDL-Nummer: MFCD00190085 InChI-Schlüssel: FNENUTDUAXPVTF-UHFFFAOYSA-N Synonym: cyclobutanol,2,2,3,3-tetrafluoro, cyclobutanol, 2,2,3,3-tetrafluoro, 2,2,3,3-tetrafluorocyclobutanol PubChem CID: 2776621 IUPAC-Name: 2,2,3,3-Tetrafluorcyclobutan-1-ol SMILES: C1C(C(C1(F)F)(F)F)O

CAS: 2919-23-5 Summenformel: C4H8O Molekulargewicht (g/mol): 72.11 MDL-Nummer: MFCD00001318 InChI-Schlüssel: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonym: kthxbehdvmtnoh-uhfffaoysa, ksc206s6t, cyclobutanol 1g, Cyclobutanol, acmc-1cgim, hydroxycyclobutane, cyclobutyl hydroxide, cyclobutyl alcohol PubChem CID: 76218 IUPAC-Name: Cyclobutanol SMILES: OC1CCC1

CAS: 57-88-5 Summenformel: C27H46O Molekulargewicht (g/mol): 386.664 MDL-Nummer: MFCD00003646 InChI-Schlüssel: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, cholesteryl alcohol, cholest-5-en-3beta-ol, cholesterin, cholesterol PubChem CID: 5997 ChEBI: CHEBI:16113 IUPAC-Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

CAS: 57-87-4 Summenformel: C28H44O MDL-Nummer: MFCD00003623 InChI-Schlüssel: DNVPQKQSNYMLRS-APGDWVJJSA-N PubChem CID: 444679 ChEBI: CHEBI:16933

CAS: 128-13-2 Summenformel: C24H40O4 Molekulargewicht (g/mol): 392.58 MDL-Nummer: MFCD00003680 InChI-Schlüssel: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonym: ursodesoxycholic acid, urso forte, urso, ursodeoxycholate, delursan, ursolvan, ursofalk, actigall, ursodiol, ursodeoxycholic acid PubChem CID: 31401 ChEBI: CHEBI:9907 IUPAC-Name: (4 R)-4-[(3 R,5 S,7,8 S R,9 S,10,13 S R,14 R,17 R)-3,7 -Dihydroxy-10,13 -Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17 -Tetradecahydro-1 H-Cyclopenta[a]phenanhren-17-yl]Pentanosäure SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

CAS: 145-13-1 Summenformel: C₂₁H₃₂O₂ Molekulargewicht (g/mol): 316.47 MDL-Nummer: MFCD00003628 InChI-Schlüssel: ORNBQBCIOKFOEO-OYZZJKLHSA-N Synonym: 3-hydroxypregn-5-en-20-one PubChem CID: 44307923 IUPAC-Name: 1-[(10R,13S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]phenanthren-17-yl]ethanon SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

CAS: 83-44-3 Summenformel: C24H40O4 Molekulargewicht (g/mol): 392.58 MDL-Nummer: MFCD00003673 InChI-Schlüssel: KXGVEGMKQFWNSR-LLQZFEROSA-N Synonym: pyrochol, droxolan, deoxycholatic acid, degalol, cholorebic, cholerebic, choleic acid, desoxycholic acid, deoxycholate, deoxycholic acid PubChem CID: 222528 ChEBI: CHEBI:28834 IUPAC-Name: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

CAS: 16561-29-8 Summenformel: C36H56O8 Molekulargewicht (g/mol): 616.84 MDL-Nummer: MFCD00036736 InChI-Schlüssel: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol-12-myristate-13-acetate, phorbol 13-acetate 12-myristate, factor a1 croton oil, 12-tetradecanoylphorbol 13-acetate, tetradecanoylphorbol acetate, factor a1, 12-o-tetradecanoylphorbol 13-acetate, 12-o-tetradecanoylphorbol-13-acetate, phorbol ester, phorbol 12-myristate 13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC-Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(Acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl-tetradecanoat SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

CAS: 257932-29-9 Summenformel: C9H14O3 Molekulargewicht (g/mol): 170.21 MDL-Nummer: MFCD00180256 InChI-Schlüssel: FSQSHXLJRFYYMV-UHFFFAOYNA-N Synonym: bicyclo 3.2.1 octane-6-carboxylicacid, 2-hydroxy, 4-hydroxybicyclo 3.2.1 octane-7-carboxylic acid, maybridge1_002398, 2-hydroxybicyclo 3.2.1 octane-6-carboxylic acid PubChem CID: 2802922 IUPAC-Name: 2-hydroxybicyclo[3.2.1]octane-6-carboxylic acid SMILES: OC1CCC2CC1CC2C(O)=O

CAS: 700-57-2 Summenformel: C10H16O Molekulargewicht (g/mol): 152.237 MDL-Nummer: MFCD00074744 InChI-Schlüssel: FOWDOWQYRZXQDP-UHFFFAOYSA-N Synonym: pubchem8753, 2alpha-adamantanol, 1-adamantanol;, 1r,3r,5r,7r-adamantan-2-ol, tricyclo 3.3.1.1∼3,7∼ decan-2-ol, tricyclo 3.3.1.13,7 decan-2-ol, 2-hydroxyadamantane, 2-adamantanol PubChem CID: 64149 IUPAC-Name: Adamantan-2-ol SMILES: C1C2CC3CC1CC(C2)C3O

CAS: 2919-23-5 Summenformel: C4H8O Molekulargewicht (g/mol): 72.11 MDL-Nummer: MFCD00001318 InChI-Schlüssel: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonym: kthxbehdvmtnoh-uhfffaoysa, ksc206s6t, cyclobutanol 1g, Cyclobutanol, acmc-1cgim, hydroxycyclobutane, cyclobutyl hydroxide, cyclobutyl alcohol PubChem CID: 76218 IUPAC-Name: Cyclobutanol SMILES: OC1CCC1

CAS: 50673-97-7 Summenformel: C27H44O2 Molekulargewicht (g/mol): 400.65 MDL-Nummer: MFCD09065035 InChI-Schlüssel: LINVVMHRTUSXHL-NDNSGUFDSA-N Synonym: colestolonum inn-latin, 5alpha-cholest-8 14-en-3-beta-ol-15-one, colestolone usan:inn, 15-oxo-5alpha-cholest-8 14-en-3beta-ol, 3beta-hydroxy-5alpha-cholest-8 14-en-15-one, unii-5p8396t5xf, 15-ketocholestene, colestolona, colestolonum, colestolone PubChem CID: 10046567 ChEBI: CHEBI:61829 SMILES: CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

CAS: 469-83-0 Summenformel: C20H28O3 Molekulargewicht (g/mol): 316.44 MDL-Nummer: MFCD01075769 InChI-Schlüssel: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonym: 3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol, 1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol, --cafestol, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs, unii-ac465t6q6w, ccris 1518, cafesterol, cafestol PubChem CID: 108052 ChEBI: CHEBI:3291 IUPAC-Name: (1S,4S,12S,13R,16R,17R)-17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

CAS: 14320-38-8 Summenformel: C5H8O Molekulargewicht (g/mol): 84.12 MDL-Nummer: MFCD00798186 InChI-Schlüssel: WEIMJSIRDZDHAH-UHFFFAOYSA-N IUPAC-Name: Cyclopent-3-en-1-ol SMILES: OC1CC=CC1

CAS: 16561-29-8 Summenformel: C36H56O8 Molekulargewicht (g/mol): 616.84 MDL-Nummer: MFCD00036736 InChI-Schlüssel: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol-12-myristate-13-acetate, phorbol 13-acetate 12-myristate, factor a1 croton oil, 12-tetradecanoylphorbol 13-acetate, tetradecanoylphorbol acetate, factor a1, 12-o-tetradecanoylphorbol 13-acetate, 12-o-tetradecanoylphorbol-13-acetate, phorbol ester, phorbol 12-myristate 13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC-Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(Acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl-tetradecanoat SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O

CAS: 30282-14-5 Summenformel: C₁₂H₂₀O₄ Molekulargewicht (g/mol): 228.29 MDL-Nummer: MFCD00151157 InChI-Schlüssel: ODZTXUXIYGJLMC-UHFFFAOYSA-N Synonym: acmc-20n5uh, zlchem 1128, cyclohexanone, dimer, cyclohexanone, 2-hydroxy-, dimer, cyclohexanone, 2-hydroxy-, 2r, 2-hydroxy-cyclohexanone, cyclohexanone, 2-hydroxy, 2-hydroxy-1-cyclohexanone, adipoin, 2-hydroxycyclohexanone PubChem CID: 10785 ChEBI: CHEBI:17878 IUPAC-Name: 2-Hydroxycyclohexan-1-on SMILES: C1CCC(=O)C(C1)O

CAS: 57-88-5 Summenformel: C27H46O Molekulargewicht (g/mol): 386.664 MDL-Nummer: MFCD00003646 InChI-Schlüssel: HVYWMOMLDIMFJA-DPAQBDIFSA-N Synonym: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, Cholesterin, Dusolin, Cholesterylalkohol, Cholest-5 -en-3 beta-ol PubChem CID: 5997 ChEBI: CHEBI:16113 IUPAC-Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]phenanthren3 SMILES: CC(C)CCCC(C)C1 CCC21 C (CCC32 CC=C43 C (CCC(C4)O)C