Methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate

CAS

3749-87-9

Catalog Number

ACM3749879

Category

Other Products

Molecular Weight

506.671340 [g/mol]

Molecular Formula

C₂₉H₄₆O₇

MSDS COA Spec Sheet

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Specification

Synonyms

3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-saeure-methylester; methyl 3α,7α-diacetoxy-12α-hydroxy cholanate; 12α-Hydroxy-3α,7α-diacetoxy-5β-cholansaeure-(24)-methylester; methyl 3,7-diacetoxych

IUPAC Name

methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-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

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)O)C

InChI Key

VKXXPYARELKQOY-CXFLVZIOSA-N

EC Number

223-151-6

Exact Mass

506.32400

H-Bond Acceptor

H-Bond Donor