Basic information
- Standard SMILES
C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1C=CC2=O- InChIKey
OGYUESSMEZQBRP-CBZIJGRNSA-N- Molecular formula
- C18H20O
- Average molar mass
- 252.3 g/mol
Names & identifiers
- Preferred name
- Estra-1,3,5(10),15-tetraen-17-one
- IUPAC
- (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
SCHEMBL11683892OGYUESSMEZQBRP-CBZIJGRNSA-Nestra- 1,3,5(10),15-tetraen- 17-one
Database identifiers
- PubChem CID
- 22796830
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
Loading…