9,11Beta-dichloro-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)

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Catalog Number
ACM60864417
Product Name
9,11Beta-dichloro-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
Structure
Structure
CAS
60864-41-7
Category
Heterocyclic Organic Compound
Synonyms
EINECS 262-481-5, CID6454057, 60864-41-7, 9,11beta-Dichloro-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
IUPAC Name
4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Molecular Weight
547.397363 [g/mol]
Molecular Formula
C25H29Cl2FO6
Canonical SMILES
CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)Cl)Cl)C)OC(=O)C
InChI Key
PGHIRUNUSYUQEN-HIGXOGFFSA-N
Exact Mass
546.12200
H-Bond Acceptor
9
H-Bond Donor
4
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