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 (3beta,16beta,17alpha,18beta,20alpha)-1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate |
| Molecular Mass | 766.471 g·mol−1 |
| Heat of Formation | 2592.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.24 ± 1.08 D |
| Volume | 725.53 Å 3 |
| Surface Area | 573.59 Å 2 |
| HOMO Energy | -7.92 ± 0.55 eV |
| LUMO Energy | -2.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VHGVJZAKMWEORI-YHZWGVTBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O Br N |