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COA COO

Obeticholic Acid Impurity 6

Impurity

CAS Number

1947343-07-8

Molecular Formula

C26H42O4

Product format

Neat

Molecular Weight

418.62

API Family

Obeticholic Acid

Synonyms

RQZ9GLR9PF; 6-Ethylidene obeticholic acid; UNII-RQZ9GLR9PF; 1947343-07-8; (3alpha, 5beta, 7alpha)-6-Ethylidene-3, 7-dihydroxycholan-24-oic acid; Cholan-24-oic acid, 6-ethylidene-3, 7-dihydroxy-, (3alpha, 5beta, 7alpha); (R)-4-((3R, 5R, 7S, 8S, 9S, 10R, 13R, 14S, 17R, E)-6-ethylidene-3, 7-dihydroxy-10, 13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; Obeticholic Acid Impurity B; Obeticholic Acid Impurity 4; SCHEMBL22837061; (3.ALPHA., 5.BETA., 7.ALPHA.)-6-ETHYLIDENE-3, 7-DIHYDROXYCHOLAN-24-OIC ACID; CHOLAN-24-OIC ACID, 6-ETHYLIDENE-3, 7-DIHYDROXY-, (3.ALPHA., 5.BETA. and 7.ALPHA.)

Iupac Name

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

InChI

InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23-24,27,30H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

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COA COO

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