Basic information
- CAS
357-57-3- Standard SMILES
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43- InChIKey
RRKTZKIUPZVBMF-PLNGPGDESA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18925731
Overview
(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one is an alkaloid.
Names & identifiers
- Preferred name
- (4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
- IUPAC
- (4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Names & synonyms
SR-05000001553Spectrum_001121SpecPlus_000567Spectrum2_000564Spectrum3_000624Spectrum4_001882Spectrum5_000504BSPBio_002188KBioGR_002408KBioSS_001601DivK1c_006663SPECTRUM1500822
Show more names
SPBio_000348SCHEMBL1648976CHEBI:91694KBio1_001607KBio2_001601KBio2_004169KBio2_006737KBio3_001688
Database identifiers
- CAS
357-57-3- PubChem CID
- 9649
- ChEBI
CHEBI:91694
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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