L-11316
methyl (1R,15S,17R,18R,19S,20S)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: L-11316|methyl (1R,15S,17R,18R,19S,20S)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)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-(1-methylpropyl)benzoyl)oxy)-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-|(3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[[3,5-dimethoxy-4-(sec-butyl)benzoyl]oxy]yohimban-16beta-carboxylic acid methyl ester|methyl (1R,15S,17R,18R,19S,20S)-17-[4-(butan-2-yl)-3,5-dimethoxybenzoyloxy]-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate|Methyl 18-{[4-(butan-2-yl)-3,5-dimethoxybenzoyl]oxy}-11,17-dimethoxyyohimban-16-carboxylate|Methyl 18beta-{[4-(butan-2-yl)-3,5-dimethoxybenzoyl]oxy}-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate
| Molecular Formula | C36H46N2O8 |
|---|---|
| Molecular Weight | 634.32544 g/mol |
| LogP | 5.676 |
| Topological Polar Surface Area | 108.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 634.32544 |
| Monoisotopic Mass | 634.32544 |
| Heavy Atoms | 46 |
| Complexity | 1575.0502 |
Chemical Identifiers
| CAS Number | 55729-37-8 |
|---|---|
| SMILES | CCC(C)C1=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-11316 (CAS 55729-37-8), with molecular formula C36H46N2O8 and molecular weight 634.32544 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.