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COA COO

Obeticholic Acid Impurity 30

Impurity

CAS Number

459789-97-0

Molecular Formula

C28H46O4

Product format

Neat

Molecular Weight

446.67

API Family

Obeticholic Acid

Synonyms

459789-97-0; ethyl (4R)-4-[(3R, 5S, 6R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-3-hydroxy-10, 13-dimethyl-7-oxo-1, 2, 3, 4, 5, 6, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate; ethyl (4R)-4-((3R, 5S, 6R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-3-hydroxy-10, 13-dimethyl-7-oxo-1, 2, 3, 4, 5, 6, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydrocyclopenta(a)phenanthren-17-yl)pentanoate; RefChem:593124; 815-635-6; (3Alpha, 5beta, 6alpha)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid ethyl ester; SCHEMBL713370; AC-30686; DS-018368; N16884; (3, 5 and 6)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oicacid ethylester

Iupac Name

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

InChI

InChI=1S/C28H46O4/c1-6-19-23-16-18(29)12-14-28(23,5)22-13-15-27(4)20(9-10-21(27)25(22)26(19)31)17(3)8-11-24(30)32-7-2/h17-23,25,29H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23+,25+,27-,28-/m1/s1

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COA COO

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Synthesis

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