Methyl (3β,16β,17Alpha,18β,20Alpha)-1,5-Dibromo-11,17-Dimethoxy-18-[(3,4,5-Trimethoxybenzoyl)Oxy]Yohimban-16-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C33H38Br2N2O9 |
| IUPAC Name | methyl (1r,12s,13r,15s,17r,18r,19s,20s)-3,12-dibromo-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,7,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-3-ium-7-ide-19-carboxylate |
| Molecular Mass | 766.471 g·mol−1 |
| Heat of Formation | -1135.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.80 ± 1.08 D |
| Volume | 763.03 Å 3 |
| Surface Area | 555.94 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | -2.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VHGVJZAKMWEORI-DPZSGKLBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |