Basic information
- CAS
10426-96-7- Standard SMILES
C[C@]12CC[C@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
RKALSSDGCWGKHQ-WZYQIZRJSA-N- Molecular formula
- C22H38O2Si
- Average molar mass
- 362.6 g/mol
Names & identifiers
- Preferred name
- 3beta-(Trimethylsiloxy)-5beta-androstan-17-one
- IUPAC
- (3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- English name
- 3β-(Trimethylsiloxy)-5β-androstan-17-one
- Molecular formula
- C22H38O2Si
- Molecular weight
- 362.62142
Names & synonyms
3beta-(Trimethylsiloxy)-5beta-androstan-17-one3.beta.-Hydroxy-5.beta.-androstan-17-one, TMS3.beta.-Trimethylsilyloxy-5.beta.-androstan-17-oneEtiocholan-3.alpha.-ol-17-one, trimethylsilyl ether5.beta.-Androstan-3.beta.-ol-17-one, TMS derivative10426-96-73-[(Trimethylsilyl)oxy]androstan-17-one, (3.beta.,5.beta.)-RKALSSDGCWGKHQ-WZYQIZRJSA-N(3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-oneAndrostan-17-one, 3-[(trimethylsilyl)oxy]-, (3β,5β)- (9CI)
Database identifiers
- CAS
10426-96-7- Nikkaji
- J146.343H
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 414.4 · 414.4±45.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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