Androstan-17-ol, 3,3-difluoro-, acetate, (5alpha,17beta)-
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Basic information
- CAS
1827-75-4- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
BUIQHUBDLNDWCY-RBZZARIASA-N- Molecular formula
- C21H32F2O2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.23703658
Overview
3,3-Difluoro-5alpha-androstan-17beta-yl acetate is a steroid ester.
Names & identifiers
- Preferred name
- Androstan-17-ol, 3,3-difluoro-, acetate, (5alpha,17beta)-
- IUPAC
- [(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- Androstan-17-ol, 3,3-difluoro-, acetate, (5alpha,17beta)-
- Molecular formula
- C21H32F2O2
- Molecular weight
- 0
Names & synonyms
3,3-Difluoroandrostane-17-ol acetate1827-75-43,3-Difao-AcPO853GYS65Androstan-17-ol, 3,3-difluoro-, acetate, (5alpha,17beta)-DTXSID0012261743,3-Difluoro-5alpha-androstane-17beta-ol acetate[(5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate((5S,8R,9S,10S,13S,14S,17S)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl) acetateRefChem:915827DTXCID4016574283,3-Difluoro-5alpha-androstan-17beta-yl acetate
Show more names
3,3-difluoro-5α-androstane-17β-ol acetate
NSC-53900NSC53900UNII-PO853GYS653,3-difluoro-5alpha-androstan-17beta-ol acetateCHEBI:34322BUIQHUBDLNDWCY-RBZZARIASA-NNSC 53900Q27115988
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- FDA UNII
- 853 GYS65 · PO853GYS65
Chemistry & industry
Additional notes
DefinitionChEBI: 3,3-Difluoro-5alpha-androstan-17beta-yl acetate is a steroid ester.
Related reactions
0 records
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Compound notes
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