7-Oxo Cholesterol 3-Acetate
Product Overview
Product Code
TRC-O869985
CAS Number
809-51-8
Product Format
Neat
Molecular Formula
C29H46O3
Molecular Weight
442.68
Product Categories
Product Type
APIDocumentation
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Product Information
Chemical Data
Analyte Name
7-Oxo Cholesterol 3-Acetate
CAS Number
809-51-8
Molecular Formula
C29H46O3
Molecular Weight
442.68
Accurate Mass
442.3447
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](CC4=CC3=O)OC(=O)C
InChI
InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
IUPAC
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopentaamphenanthren-3-yl] acetate
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
Product Description
Intermediate in the preparation of various Cholesterol derivatives and metabolites.
References: Khan, S., et al.: Eur. J. Med. Chem., 43, 2272 (2008),
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