Basic information
- CAS
6899-67-8- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3C4=Nc5cc(OC)ccc5C4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC- InChIKey
WPPNQMGVMUIZEF-SPUOQSRJSA-N- Molecular formula
- C33H40N2O9
- Average molar mass
- 608.7 g/mol
Names & identifiers
- Preferred name
- methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,10,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,10,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- (3β,20α)-1,2-Didehydro-2,7-dihydro-11,17α-dimethoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16β-carboxylic acid methyl ester
- Molecular formula
- C33H40N2O9
- Molecular weight
- 608.6787
Names & synonyms
7H-Reserpine(3β,20α)-1,2-Didehydro-2,7-dihydro-11,17α-dimethoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16β-carboxylic acid methyl ester
Database identifiers
- CAS
6899-67-8- Nikkaji
- J39.787C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…