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Structure

11Beta-hydroxypregn-4-ene-3,20-dione 17-acetate 21-(2-acetoxypropionate)

CAS
75227-97-3
Catalog Number
ACM75227973
Category
Other Products
Molecular Weight
517.587980 [g/mol]
Molecular Formula
C28H38O9

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Specification

Synonyms
EINECS 278-143-5, 11beta-Hydroxypregn-4-ene-3,20-dione 17-acetate 21-(2-acetoxypropionate), 75227-97-3
IUPAC Name
2-[(8S,9S,10R,11S,13S,14S,17R)-17-(3-acetyloxy-4-hydroxy-3-methyl-4-oxobutanoyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetate
Canonical SMILES
CC(=O)OC(C)(CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)CC(=O)[O-])C(=O)O
InChI Key
SJNVLANCQVTUBW-LYNRDBQISA-M
EC Number
278-143-5
Exact Mass
517.24400
H-Bond Acceptor
9
H-Bond Donor
2
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