(1S,17R)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene
Basic information
- CAS
38750-53-7- Standard SMILES
COc1cc2c(cc1OC)[C@]13C[C@H](OC)CC=C1CCN3CCC2- InChIKey
VFNBFPRWBICVGZ-UZLBHIALSA-N- Molecular formula
- C20H27NO3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.19909372
Names & identifiers
- Preferred name
- (1S,17R)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene
- IUPAC
- (1S,17R)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene
Names & synonyms
NSC16606838750-53-7NSC-166068C-Homoerythrinan,6-didehyhro-3,15,16-trimethoxy-,(3-alpha)-2H,1-a](2)benzazepine, 8,9,12-trimethoxy-, C-homoerythrinan deriv
Database identifiers
- CAS
38750-53-7- PubChem CID
- 296194
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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