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COA COO

BAR502

Impurity

CAS Number

1612191-86-2

Molecular Formula

C25H44O3

Product format

Neat

Molecular Weight

392.62

API Family

Cholic Acid

Synonyms

1612191-86-2; BAR 502; BAR502; BAR-502; CHEMBL3342086; (3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3, 7-diol; (3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-17-((R)-4-hydroxybutan-2-yl)-10, 13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3, 7-diol; MFCD31381922; orb1296098; SCHEMBL21813286; BAR 502?; C25H44O3; EX-A1734; BDBM50028027; AKOS032947034; CS-6892; HY-101273; 6Alpha-Ethyl-3Alpha, 7Alpha-Dihydroxy-24-Nor-5beta-Cholan-23-Ol; 24-Norcholane-3, 7, 23-triol, 6-ethyl-, (3|_, 5|_, 6|_, 7|_)-; (3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-17-[(1R)-3-hydroxy-1-methyl-propyl]-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3 and 7-diol

Iupac Name

(3R, 5S, 6R, 7R, 8S, 9S, 10S, 13R, 14S, 17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10, 13-dimethyl-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3 and 7-diol

InChI

InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1

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COA COO

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Synthesis

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