rel-(3aR,12bR,12cR)-1,2,3,3a,4,5,12b,12c-Octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
Basic information
- CAS
82398-31-0- Standard SMILES
O=C1c2cc3c(cc2[C@H]2CCC[C@@H]4CCN1[C@H]42)OCO3- InChIKey
KPLGCRUXOUETQE-IQMDTDKHSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- rel-(3aR,12bR,12cR)-1,2,3,3a,4,5,12b,12c-Octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
- IUPAC
- (1R,15R,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-11-one
Names & synonyms
DTXSID30110882882398-31-0rel-(3aR,12bR,12cR)-1,2,3,3a,4,5,12b,12c-Octahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
Database identifiers
- CAS
82398-31-0- PubChem CID
- 165367443
- DTXSID
DTXSID301108828
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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