Methyl (16α,17α)-17-[(3,4,5-Trimethoxybenzoyl)Oxy]Yohimban-16-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C31H36N2O7 |
| IUPAC Name | methyl (1s,15r,18s,19r,20s)-18-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Molecular Mass | 548.627 g·mol−1 |
| Heat of Formation | -947.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.11 ± 1.08 D |
| Volume | 649.47 Å 3 |
| Surface Area | 514.56 Å 2 |
| HOMO Energy | -8.17 ± 0.55 eV |
| LUMO Energy | -0.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WIWAJXWQEXVLAU-BRCJIFJXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |