Product Name :
5β-CHOLANIC ACID-3α,12α-DIOL 3-ACETATE METHYL ESTER
Synonyms :
3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER; 3ALPHA-ACETOXY,12ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER; 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER; METHYL DEOXYCHOLATE 3-ACETATE; METHYL 3ALPHA-ACETOXY-12ALPHA
IUPAC Name :
methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS:
27240-83-1
Molecular Formula:
C27H44O5
Molecular Weight :
448.64
Smiles :
CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)O)C
Description :
Purity :
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InChI Key :
FVYCOKNQUSFTBH-RFTNVYQZSA-N
InChI :
InChI=1S/C27H44O5/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/h16,18-24,29H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1
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