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COA COO

Obeticholic Acid Impurity 17

Impurity

CAS Number

4185-00-6

Molecular Formula

C24H38O4

Product format

Neat

Molecular Weight

390.56

Storage

+5°C

Shipping

Room Temperature

API Family

Obeticholic Acid

Synonyms

4185-00-6; 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid; 3-oxochenodeoxycholic acid; 3MY7NM9XNW; (5beta, 7alpha)-7-hydroxy-3-oxocholan-24-oic acid; Dehydrochenodeoxycholic acid; 3-Oxo-7alpha-hydroxycholan-24-oic acid; 3-dehydrochenodeoxycholic acid; CHEBI:88097; DTXSID601272325; Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5beta, 7alpha)-; 3-OXO-7.ALPHA.-HYDROXYCHOLAN-24-OIC ACID; 7.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLAN-24-OIC ACID; (5.BETA., 7.ALPHA.)-7-HYDROXY-3-OXOCHOLAN-24-OIC ACID; CHOLAN-24-OIC ACID, 7-HYDROXY-3-OXO-, (5.BETA. and 7.ALPHA.)-; RefChem:547080; DTXCID001702906; 7a-Hydroxy-3-oxo-5b-cholanoic acid; UNII-3MY7NM9XNW; CHEMBL271172

Iupac Name

(4R)-4-[(5R, 7R, 8R, 9S, 10S, 13R, 14S, 17R)-7-hydroxy-10, 13-dimethyl-3-oxo-1, 2, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16 and 17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

InChI

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1

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COA COO

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Synthesis

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