Basic information
- Standard SMILES
C=CC[C@@H]1C(=O)c2cc(OC)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12- InChIKey
UDPHFWUJXSQWQK-SDDRWQABSA-N- Molecular formula
- C22H28O3
- Average molar mass
- 340.5 g/mol
Names & identifiers
- Preferred name
- 17beta-Hydroxy-3-methoxy-7alpha-(2-propenyl)estra-1,3,5(10)-trien-6-one
- IUPAC
- (7S,8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7-prop-2-enyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
Names & synonyms
SCHEMBL5354503UDPHFWUJXSQWQK-SDDRWQABSA-N17beta-hydroxy-3-methoxy-7alpha-(2-propenyl)estra-1,3,5(10)-trien-6-one
Database identifiers
- PubChem CID
- 69415006
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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