Basic information
- Standard SMILES
CC(C)(C)[Si](C)(C)OCCOCCOc1ccc([C@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3CCC4=CC(=O)CCC4=C32)cc1- InChIKey
VNQUWYHEMJHHSX-AOFBEVEVSA-N- Molecular formula
- C34H48O5Si
- Average molar mass
- 564.8 g/mol
Names & identifiers
- Preferred name
- 11beta-[4-[2-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethoxy]ethoxy]phenyl]estra-4,9-diene-3,17-dione
- IUPAC
- (8S,11R,13S,14S)-11-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]phenyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Names & synonyms
SCHEMBL7193407VNQUWYHEMJHHSX-AOFBEVEVSA-N11beta-[4-[2-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethoxy]ethoxy]phenyl]estra-4,9-diene-3,17-dione
Database identifiers
- PubChem CID
- 70017866
Properties
Computed structural properties
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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