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Structure

9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate

CAS
94087-97-5
Catalog Number
ACM94087975
Category
Other Products
Molecular Weight
554.603203 [g/mol]
Molecular Formula
C31H35FO8

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Specification

Synonyms
EINECS 301-993-6, 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate, 94087-97-5
IUPAC Name
[2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-acetyloxybenzoate
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC=CC=C5OC(=O)C)O)C)O)F)C
InChI Key
GYYNSXYFAWGGTO-BDXSRWKWSA-N
EC Number
301-993-6
Exact Mass
554.23200
H-Bond Acceptor
9
H-Bond Donor
2
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