Basic information
- Standard SMILES
COC1=CC2CC[C@@H]3[C@H](CC[C@]4(CCCN(C)C)[C@@H](O)CC[C@@H]34)C2=C(OC)C1- InChIKey
MYQFJPDCTHSYHI-LJFGBTTGSA-N- Molecular formula
- C24H39NO3
- Average molar mass
- 389.6 g/mol
Names & identifiers
- Preferred name
- 13beta-(3-Dimethylaminopropyl)-1,3-dimethoxy-gona-1(10),3-dien-17beta-ol
- IUPAC
- (8S,9S,13R,14S,17S)-13-[3-(dimethylamino)propyl]-1,3-dimethoxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
Names & synonyms
SCHEMBL11857266MYQFJPDCTHSYHI-LJFGBTTGSA-N13beta-(3-dimethylaminopropyl)-1,3-dimethoxy-gona-1(10),3-dien-17beta-ol
Database identifiers
- PubChem CID
- 68143588
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 640
Related reactions
1 records
Linked notes
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