16beta-Ethyl-17beta-n-hexanoyloxyacetoxy-4,9(10)-estradien-3-one
Basic information
- Standard SMILES
CCCCCC(=O)OCC(=O)O[C@H]1[C@@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C- InChIKey
FGKYMPUCWPSCGZ-NRSJIGRKSA-N- Molecular formula
- C28H40O5
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 16beta-Ethyl-17beta-n-hexanoyloxyacetoxy-4,9(10)-estradien-3-one
- IUPAC
- [2-[[(8S,13S,14S,16S,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl] hexanoate
Names & synonyms
SCHEMBL10895030FGKYMPUCWPSCGZ-NRSJIGRKSA-N16beta-Ethyl-17beta-n-hexanoyloxyacetoxy-4,9(10)-estradien-3-one
Database identifiers
- PubChem CID
- 18604259
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 852
Related reactions
1 records
Compound notes
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