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COA COO

Obeticholic Acid Impurity 3

Impurity

CAS Number

1908444-28-9

Molecular Formula

C52H86O7

Product format

Neat

Molecular Weight

823.25

Shipping

Room Temperature

API Family

Obeticholic Acid

Synonyms

(R)-4-((3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-Ethyl-3-(((R)-4-((3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-3, 7-dihydroxy-10, 13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)oxy)-7-hydroxy-10 and 13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Iupac Name

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

InChI

InChI=1S/C52H86O7/c1-9-33-41-27-31(53)19-23-51(41,7)39-21-25-50(6)36(14-16-37(50)45(39)47(33)57)30(4)12-18-44(56)59-32-20-24-52(8)40-22-26-49(5)35(29(3)11-17-43(54)55)13-15-38(49)46(40)48(58)34(10-2)42(52)28-32/h29-42,45-48,53,57-58H,9-28H2,1-8H3,(H,54,55)/t29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,45+,46+,47-,48-,49-,50-,51-,52-/m1/s1

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COA COO

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Synthesis

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