3-[(Trimethylsilyl)oxy]estran-17-one
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Basic information
- CAS
96551-50-7- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@@H]43)[C@@H]1CCC2=O- InChIKey
PMSSSTWREGUKQF-MJTDYWNISA-N- Molecular formula
- C21H36O2Si
- Average molar mass
- 348.6 g/mol
- Monoisotopic mass
- 348.24845692
Names & identifiers
- Preferred name
- 3-[(Trimethylsilyl)oxy]estran-17-one
- IUPAC
- (3R,5R,8R,9R,10S,13S,14S)-13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
- English name
- 3alpha-Trimethylsilyloxy-5beta-19-norandrostan-17-one
- Molecular formula
- C21H36O2Si
- Molecular weight
- 348.6
Names & synonyms
PMSSSTWREGUKQF-MJTDYWNISA-N3-[(Trimethylsilyl)oxy]estran-17-one #3.alpha.-Trimethylsilyloxy-5.beta.-19-norandrostan-17-one3-Hydroxyestran-17-one, (3.alpha.,5.beta.)-, TMS derivative3alpha-Trimethylsilyloxy-5beta-19-norandrostan-17-one13-methyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
Database identifiers
- CAS
96551-50-7- PubChem CID
- 91697190
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Boiling point
- 409.91 · 409.910±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.022 · 1.022±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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