Basic information
- CAS
79434-71-2- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC(OC(C)=O)C2C(C)C2=NCC(C)CC2)C1- InChIKey
AVFPEFZPKZCVMP-UHFFFAOYSA-N- Molecular formula
- C31H49NO4
- Average molar mass
- 499.7 g/mol
- Monoisotopic mass
- 499.36615904
Names & identifiers
- Preferred name
- [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- IUPAC
- [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
79434-71-2NSC226898[16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateDTXSID20310411NSC-22689820-(5-Methyl-3,4,5,6-tetrahydropyridin-2-yl)pregnane-3,16-diyl diacetate
Database identifiers
- CAS
79434-71-2- PubChem CID
- 313277
- DTXSID
DTXSID20310411
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 899
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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