[(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Basic information
- CAS
19459-59-7- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
LEWNLHKUUYCCDG-DWKSCWABSA-N- Molecular formula
- C25H37NO3
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.27734404
Names & identifiers
- Preferred name
- [(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
NSC80839NSC-80839AKOS03294856819459-59-7
Database identifiers
- CAS
19459-59-7- PubChem CID
- 255387
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 755
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Compound notes
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