4a-Ethenyl-5,6-dimethoxy-10-(methylamino)-1,4,4a,9,10,10a-hexahydrophenanthren-3(2H)-one
Basic information
- CAS
7463-45-8- Standard SMILES
C=CC12CC(=O)CCC1C(NC)Cc1ccc(OC)c(OC)c12- InChIKey
TVUQQPFSPXDGRX-UHFFFAOYSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- 4a-Ethenyl-5,6-dimethoxy-10-(methylamino)-1,4,4a,9,10,10a-hexahydrophenanthren-3(2H)-one
- IUPAC
- 4a-ethenyl-5,6-dimethoxy-10-(methylamino)-1,2,4,9,10,10a-hexahydrophenanthren-3-one
Names & synonyms
7463-45-8NSC404367DTXSID40323588NSC-4043674a-Ethenyl-5,6-dimethoxy-10-(methylamino)-1,4,4a,9,10,10a-hexahydrophenanthren-3(2H)-one
Database identifiers
- CAS
7463-45-8- PubChem CID
- 346221
- DTXSID
DTXSID40323588
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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