Basic information
- Standard SMILES
C[C@H]([C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21CO)N(C)C- InChIKey
UCNIUVSOJLHWRM-DCTLDXQPSA-N- Molecular formula
- C25H44N2O
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.34536403
Names & identifiers
- Preferred name
- [(3S,8S,9S,10R,13R,14R,17S)-3-(dimethylamino)-17-[(1R)-1-(dimethylamino)ethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
- IUPAC
- [(3S,8S,9S,10R,13R,14R,17S)-3-(dimethylamino)-17-[(1R)-1-(dimethylamino)ethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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