Methyl (3β,16β,17β,20Alpha)-17-Hydroxy-9-Methoxyyohimban-16-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C22H28N2O4 |
| IUPAC Name | methyl (1r,13s,15r,18r,19s,20r)-18-hydroxy-8-methoxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carboxylate |
| Molecular Mass | 384.469 g·mol−1 |
| Heat of Formation | -588.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.12 ± 1.08 D |
| Volume | 455.5 Å 3 |
| Surface Area | 380.08 Å 2 |
| HOMO Energy | -8.23 ± 0.55 eV |
| LUMO Energy | -0.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WMMZYEBFJWWUJX-IBEFBCMPSA-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 |