Basic information
- Standard SMILES
COc1cc2c(c(OC)c1)[C@H]1CC[C@]3(CCCN(C)C)[C@@H](O)CC[C@H]3[C@@H]1CC2- InChIKey
HSPKPGMFKGPPRI-ZFJRXVOLSA-N- Molecular formula
- C24H37NO3
- Average molar mass
- 387.6 g/mol
Names & identifiers
- Preferred name
- 13beta-(3-Dimethylaminopropyl)-1,3-dimethoxy-gona-1,3,5(10)-trien 17beta-ol
- IUPAC
- (8S,9S,13R,14S,17S)-13-[3-(dimethylamino)propyl]-1,3-dimethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Names & synonyms
SCHEMBL11866718HSPKPGMFKGPPRI-ZFJRXVOLSA-N13beta-(3-dimethylaminopropyl)-1,3-dimethoxy-gona-1,3,5(10)-trien 17beta-ol
Database identifiers
- PubChem CID
- 22790383
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
1 records
Linked notes
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