(3a,5b,12a)-3-(Benzoyloxy)-12-[(methylsulfonyl)oxy]-cholan-24-oic Acid Methyl Ester
Product Code
TRC-B208083
CAS Number
Product Format
Neat
Molecular Formula
C33H48O7S
Molecular Weight
588.8
Product Categories
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- Product Name: (3a,5b,12a)-3-(Benzoyloxy)-12-[(methylsulfonyl)oxy]-cholan-24-oic Acid Methyl Ester
- Product Code: TRC-B208083
- CAS Number: 214544-12-4
- Brand: TRC
Product Information
Chemical Data
Analyte Name
(3alpha,5beta,12alpha)-3-(Benzoyloxy)-12-[(methylsulfonyl)oxy]-cholan-24-oic Acid Methyl Ester
CAS Number
214544-12-4
Molecular Formula
C33H48O7S
Molecular Weight
588.8
Accurate Mass
588.31
SMILES
O=C(O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](OS(=O)(C)=O)[C@]4(C)[C@@H]([C@@H](CCC(OC)=O)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C1)C5=CC=CC=C5
InChI
InChI=1S/C33H48O7S/c1-21(11-16-30(34)38-4)26-14-15-27-25-13-12-23-19-24(39-31(35)22-9-7-6-8-10-22)17-18-32(23,2)28(25)20-29(33(26,27)3)40-41(5,36)37/h6-10,21,23-29H,11-20H2,1-5H3/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1
IUPAC
(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-Methoxy-5-oxopentan-2-yl)-10,13-dimethyl-12-((methylsulfonyl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl Benzoate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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