| 2D Structure | |
| CID | 6674 |
| IUPAC Name | (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI | InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1 |
| InChI Key | OHXPGWPVLFPUSM-KLRNGDHRSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.5 |
| synonyms | ['dehydrocholic acid', '81-23-2', 'Decholin', 'Dilabil', 'Ketocholanic acid', 'Procholon', 'Triketocholanic acid', '3,7,12-Trioxocholanic acid', '3,7,12-Triketocholanic acid', '3,7,12-Trioxo-5beta-cholanic acid', '3,7,12-Trioxo-5beta-cholan-24-oic acid', '3,7,12-Triketo-5beta-cholanoic acid', 'NSC-8796', 'DTXSID2022888', 'CHEBI:31459', 'Cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-', '(5beta)-3,7,12-trioxocholan-24-oic acid', 'NH5000009I', 'DTXCID402888', 'CholanHMB', 'Cholan HMB', 'Dehydrocholate, Sodium', '(4R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl)pentanoate', '201-335-7', 'Dehystolin', 'Felacrinos', 'Sanocholen', 'Chologon', 'Oxycholin', 'Bilidren', 'Bilostat', 'Cholagon', 'Cholimed', 'Dehychol', 'Didrocolo', 'Drenobyl', 'Novocolin', 'Acolen', 'Dehycon', 'Didocol', 'Erebile', 'Hykolex', 'Deidrocolico Vita', 'Biochol', 'Dehycol', 'Ketochol', 'Khologon', 'Doxycholpotassium', 'Cholan DH', 'Cholic acid, dehydro-', 'Dee-Co', 'Acide dehydrocholique', 'Dehydrocholsaeure', 'Acido dehidrocolico', 'MFCD00066410', 'Hydrochol', '(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid', 'Cholan-24-oic acid, 3,7,12-trioxo-, (5.beta.)-', 'MLS000069501', 'MLS001076501', '81-23-2 (acid)', '(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid', 'SMR000058603', 'Atrocholin', 'Cholepatin', 'Dehydrocholsaeure [German]', 'Acido deidrocolico', 'Acido deidrocolico [DCIT]', '4-((1S,2S,7S,11S,10R,14R,15R)-2,15-dimethyl-5,9,16-trioxotetracyclo[8.7.0.0<2, 7>.0<11,15>]heptadec-14-yl)pentanoic acid', 'Acido dehidrocolico [Spanish]', 'Acide dehydrocholique [French]', 'Acidum dehydrocholicum [Latin]', 'Acidum dehydrocholicum', 'Acido dehidrocolico [INN-Spanish]', 'Acide dehydrocholique [INN-French]', 'Acidum dehydrocholicum [INN-Latin]', 'NSC 8796', 'EINECS 201-335-7', 'BRN 3226734', '5beta-Cholanic acid, 3,7,12-trioxo-', 'Dilahil', 'dehydocholic acid', '3,7,12-Trioxo-5-beta-cholan-24-oic acid', 'UNII-NH5000009I', 'Dehydro-CA', 'dehydrocholate-acid', 'NCGC00095777-01', 'Decholin (TN)', 'Cholan-24-oic acid, 3,7,12-trioxo-, (5b)-', 'Prestwick_498', '5beta-Cholanic acid-3,5,12-trione', 'Cholan-24-oic acid, 3,7,12-trioxo-, (5-beta)-', 'Dehydrocholic acid [USP:INN:BAN:JAN]', 'Opera_ID_1391', 'Prestwick3_000123', '3,12-Trioxocholanic acid', '5beta-Cholan-24-oic acid, 3,7,12-trioxo-', '3,12-Triketocholanic acid', '5-beta-Cholan-24-oic acid, 3,7,12-trioxo-', 'SCHEMBL26391', 'BSPBio_000166', '4-10-00-03478 (Beilstein Handbook Reference)', 'MLS001424181', 'Dehydrocholic acid (Standard)', 'BPBio1_000184', 'CHEMBL514446', 'DEHYDROCHOLIC ACID [MI]', 'DEHYDROCHOLIC ACID [INN]', 'DEHYDROCHOLIC ACID [JAN]', 'HY-B1393R', 'NSC8796', 'DEHYDROCHOLIC ACID [VANDF]', 'HMS2052A11', 'HMS2095I08', 'HMS2235J07', 'HMS3712I08', 'DEHYDROCHOLIC ACID [MART.]', 'DEHYDROCHOLIC ACID [USP-RS]', 'DEHYDROCHOLIC ACID [WHO-DD]', 'HY-B1393', 'MSK15555', '3,7,12-Trioxo-24-cholanic acid', 'Purified dehydrocholic acid (JP17)', 'Tox21_111519', 'LMST04010106', 'PDSP2_000076', 's4562', '3,12-Trioxo-5.beta.-cholanic acid', 'Dehydrocholic acid (JP17/USP/INN)', 'Dehydrocholic acid, >=99.0% (T)', '3,12-Triketo-5.beta.-cholanic acid', 'AKOS024284359', 'Tox21_111519_1', '3,12-Triketo-5.beta.-cholanoic acid', '5.beta.-Cholanic acid,7,12-trioxo-', 'CCG-101103', 'CS-4902', 'DB11622', 'FD11044', 'NC00353', '3,7,12-Trioxo-5.beta.-cholanic acid', '3,7,12-Trioxocholan-24-oic acid #', '3,7,12-Triketo-5.beta.-cholanic acid', 'NCGC00024025-03', 'NCGC00024025-05', '3,7,12-Triketo-5.beta.-cholanoic acid', 'BP-43196', 'DEHYDROCHOLIC ACID [USP MONOGRAPH]', 'ST075165', 'SY057949', '5.beta.-Cholanic acid, 3,7,12-trioxo-', '3,12-Trioxo-5.beta.-cholan-24-oic acid', '5.beta.-Cholan-24-oic acid,7,12-trioxo-', 'D0042', 'NS00004676', '3,7,12-Trioxo-5.beta.-cholan-24-oic acid', 'D01693', 'D94651', '3,7,12-Tri-keto-5.beta.-Cholan-24-oic acid', '5.beta.-Cholan-24-oic acid, 3,7,12-trioxo-', 'EN300-7402612', 'Cholan-24-oic acid,7,12-trioxo-, (5.beta.)-', 'Q903387', 'SR-01000003022', 'SR-01000003022-3', 'BRD-K90976994-001-02-1', '3,7,12-Trioxo-5beta-cholanic acid 5beta-Cholanic acid-3,5,12-trione', 'Dehydrocholic acid, United States Pharmacopeia (USP) Reference Standard', '(4R)-4-[(1R,3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid', '(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoicacid'] |
From Pubchem