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Structure

5-Bromo-5α-cholestane-3,6-diol 3-acetate

CAS
1258-35-1
Catalog Number
ACM1258351
Category
Other Products
Molecular Weight
525.60
Molecular Formula
C29H49BrO3

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Specification

Synonyms
3β-Acetoxy-5-bromo-5α-cholestan-6β-ol
IUPAC Name
[(3R,5R,6R,8S,9S,10R,13R,14S)-5-bromo-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)Br)O)C
InChI Key
QOKSSEORHJPLLF-LBPASEOFSA-N
Appearance
White Solid
Exact Mass
524.28700
H-Bond Acceptor
3
H-Bond Donor
1
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