Basic information
- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@@]21C- InChIKey
JDNOZMZWJPQQRC-VRRJBYJJSA-N- Molecular formula
- C26H38O6Si
- Average molar mass
- 474.7 g/mol
Names & identifiers
- Preferred name
- 11beta-Trimethylsiloxy-17alpha-hydroxy-21-acetoxy-pregna-1,4-diene-3,20-dione
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Names & synonyms
SCHEMBL11706384JDNOZMZWJPQQRC-VRRJBYJJSA-N11beta-trimethylsiloxy-17alpha-hydroxy-21-acetoxy-pregna-1,4-diene-3,20-dione
Database identifiers
- PubChem CID
- 22798528
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 932
Related reactions
1 records
Compound notes
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