CID 189778
Basic information
- CAS
73020-53-8- Standard SMILES
CC=C1CN2CCC34c5ccccc5N5C(=O)C(C6CC78c9ccccc9N9C(=O)C=C[C@H]([C@H]97)[C@H]7C[C@@H]8N6CC7=CC)=C[C@H]([C@H]53)[C@H]1C[C@H]24- InChIKey
VCDMHIARBYKHSB-CBYDNGFISA-N- Molecular formula
- C42H42N4O2
- Average molar mass
- 634.8 g/mol
- Monoisotopic mass
- 634.3307766
Overview
CID 189778 has been reported in Strychnos icaja with data available.
Names & identifiers
- Preferred name
- CID 189778
- IUPAC
- (12S,13R,19S,21S)-14-ethylidene-10-[(12S,13R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one
Names & synonyms
(12S,13R,19S,21S)-14-Ethylidene-10-[(12S,13R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-9-one
Database identifiers
- CAS
73020-53-8- PubChem CID
- 189778
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…