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

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Catalog Number
ACM57781143
Product Name
2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
Structure
Structure
CAS
57781-14-3
Category
Heterocyclic Organic Compound
Synonyms
EINECS 260-951-4; Halopredone diacetate; Halopredone acetate [USAN:JAN]; halopredone acetate; THS-201; Halopredone 17,21-diacetate; Haloart;
IUPAC Name
[2-[(6R,8S,9R,10S,11S,13S,14S,17R)-17-acetyloxy-2-bromo-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular Weight
592.4011064
Molecular Formula
C25H30BrF2O9
Canonical SMILES
CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)Br)F)F)O)C)OC(=O)C
InChI Key
YCISZOVUHXIOFY-HKXOFBAYSA-N
Boiling Point
620.5ºC at 760 mmHg
Flash Point
329.1ºC
Density
1.49g/cm³
EC Number
260-951-4
Exact Mass
558.10600
H-Bond Acceptor
9
H-Bond Donor
1
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