Basic information
- Standard SMILES
CC[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](NC)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
BKSZWYDLWWBRIR-QNOXAFRZSA-N- Molecular formula
- C22H35NO2
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.26677936
Names & identifiers
- Preferred name
- (2R,3R,8S,9S,10R,13S,14S,17R)-17-ethyl-2-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
- IUPAC
- (2R,3R,8S,9S,10R,13S,14S,17R)-17-ethyl-2-hydroxy-10,13-dimethyl-3-(methylamino)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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