2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

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Catalog Number
ACM57781234
Product Name
2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
Structure
Structure
CAS
57781-23-4
Category
Heterocyclic Organic Compound
Synonyms
EINECS 260-956-1, CID93801, 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, 57781-23-4
IUPAC Name
[2-[(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular Weight
517.358 g/mol
Molecular Formula
C23H27BrF2O6
Canonical SMILES
CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)Br)F)F)O)C)O
InChI Key
IZAIDEPSSMAJPO-YPQPBNTISA-N
EC Number
260-956-1
Exact Mass
516.09600
H-Bond Acceptor
8
H-Bond Donor
2
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