CAS Number
Molecular Formula
C27H42O5
Product format
Neat
Molecular Weight
446.63
API Family
Synonyms
(R)-Methyl 4-((3R, 5R, 8R, 9S, 10S, 13R, 14S, 17R)-3-acetoxy-10, 13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate; 5143-55-5; Methyl 3-acetoxy-12-ketocholanate; methyl (4R)-4-[(1R, 3aS, 3bR, 5aR, 7R, 9aS, 9bS, 11aR)-7-(acetyloxy)-9a, 11a-dimethyl-11-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate; SCHEMBL329694; Methyl acetyl-12-ketolithocholate; 5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy-12-oxo-, methyl ester, acetate; Cholan-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha. and 5.beta.)-; CS-0080110; Methyl 3-(acetyloxy)-12-oxocholan-24-oate #; Methyl 3alpha-acetoxy-5beta-cholan-12-one-24-oate; 5beta-Cholanic acid-3alpha-ol-12-one acetate methyl ester
Iupac Name
methyl (4R)-4-[(3R, 5R, 8R, 9S, 10S, 13R, 14S, 17R)-3-acetyloxy-10, 13-dimethyl-12-oxo-1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 14, 15, 16 and 17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChI
InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
