Basic information
- CAS
82571-86-6- Standard SMILES
C=Cn1cc[n+](CC(=O)OC2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)c1- InChIKey
PZDGJRHZHQEYSV-UHFFFAOYSA-N- Molecular formula
- C26H35N2O3+
- Average molar mass
- 423.6 g/mol
- Monoisotopic mass
- 423.26476798
Names & identifiers
- Preferred name
- (10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
- IUPAC
- (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
Names & synonyms
82571-86-6NSC370101(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetateDTXSID00331124NSC-37010117-{[(1-Ethenyl-1H-imidazol-3-ium-3-yl)acetyl]oxy}-3-oxoandrost-4-ene
Database identifiers
- CAS
82571-86-6- PubChem CID
- 435449
- DTXSID
DTXSID00331124
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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