Product Code
TRC-M303505
CAS Number
Product Format
Neat
Molecular Formula
C29 H44 O7
Molecular Weight
504.66
Product Categories
TRC, Impurity Reference Materials , Hormones, Hormones, Bile acids, Steroids and derivatives, Hormones, Steroids and derivatives
Product Type
ImpurityPurity
>95% (HPLC)
Drug Type
Steroids / Hormones
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Analyte Name
Methyl 3alpha,7alpha-Diacetoxy-12-oxo-5beta-cholan-24-oate
CAS Number
28535-81-1
Molecular Formula
C29 H44 O7
Molecular Weight
504.66
Accurate Mass
504.3087
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
IUPAC
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
Impurity Type
Intermediate
Purity
>95% (HPLC)
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