(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester


CAS No. : 10452-63-8

(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester,10452-63-8
Product Details
Cat No:M135893
Molecular Formula:C29H43BrO7
Molecular Weight:583.56
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Cat No:M135893
Cas No:10452-63-8
Product-Name:(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester
IUPAC Name:methyl (4R)-4-[(3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,12-diacetyloxy-6-bromo-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
InChI:InChI=1S/C29H43BrO7/c1-15(7-10-24(33)35-6)19-8-9-20-25-21(14-23(29(19,20)5)37-17(3)32)28(4)12-11-18(36-16(2)31)13-22(28)26(30)27(25)34/h15,18-23,25-26H,7-14H2,1-6H3/t15-,18-,19-,20+,21+,22+,23+,25+,26-,28-,29-/m1/s1
InChIKey:MAIKGBHVJKDTPG-UZSMRUEJSA-N
SMILES:CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(=O)C(C4C3(CCC(C4)OC(=O)C)C)Br)OC(=O)C)C
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