L-19246
methyl (1R,15S,17R,18R,19S,20S)-17-(3,5-dimethoxy-4-propylbenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: L-19246|methyl (1R,15S,17R,18R,19S,20S)-17-(3,5-dimethoxy-4-propylbenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate|Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(((3,5-dimethoxy-4-propyl)benzoyl)oxy)-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-|methyl (1S,2R,3R,4aS,13bR,14aS)-3-((3,5-dimethoxy-4-propylbenzoyl)oxy)-2,11-dimethoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate|Methyl 18-[(3,5-dimethoxy-4-propylbenzoyl)oxy]-11,17-dimethoxyyohimban-16-carboxylate|Methyl 18beta-[(3,5-dimethoxy-4-propylbenzoyl)oxy]-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate
| Molecular Formula | C35H44N2O8 |
|---|---|
| Molecular Weight | 620.30975 g/mol |
| LogP | 5.115 |
| Topological Polar Surface Area | 108.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 620.30975 |
| Monoisotopic Mass | 620.30975 |
| Heavy Atoms | 45 |
| Complexity | 1541.4523 |
Chemical Identifiers
| CAS Number | 55729-34-5 |
|---|---|
| SMILES | CCCC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC |
Product Overview
L-19246 (CAS 55729-34-5), with molecular formula C35H44N2O8 and molecular weight 620.30975 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-(3,5-dimethoxy-4-propylbenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.