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Structure

3Beta-acetoxy-6a-chloroergosta-7,22-dien-5a-ol

CAS
58261-88-4
Catalog Number
ACM58261884
Category
Other Products
Molecular Weight
491.15
Molecular Formula
C30H47ClO3

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Specification

Synonyms
(3β,5α,6α,22E)-6-Chloro-ergosta-7,22-diene-3,5-diol 3-Acetate;
IUPAC Name
[(5R,6S,9S,10R,13R,14R,17R)-6-chloro-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)OC(=O)C)C)O)Cl)C
InChI Key
JIXRSUPPSOBQSS-KTMOMUEESA-N
Exact Mass
490.32100
H-Bond Acceptor
3
H-Bond Donor
1
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