Basic information
- Standard SMILES
CC(=O)OC1=CC2=CC[C@@H]3[C@H]([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@H]2CC1- InChIKey
AKSNITUARIERNI-FNSJINJNSA-N- Molecular formula
- C22H28O5
- Average molar mass
- 372.5 g/mol
Names & identifiers
- Preferred name
- 3,11alpha-Diacetoxy-estra-3,5-dien-17-one
- IUPAC
- [(8S,9S,10R,11R,13S,14S)-3-acetyloxy-13-methyl-17-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
Names & synonyms
SCHEMBL6854225AKSNITUARIERNI-FNSJINJNSA-N3,11alpha-diacetoxy-estra-3,5-dien-17-one3, 11alpha-diacetoxy-estra-3,5-dien-17-one
Database identifiers
- PubChem CID
- 69918053
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
Loading…