(3β,4Alpha,7Alpha,9Xi,15Alpha,16β)-4,7,14,16,20-Pentahydroxy-15-{[(2R)-2-Methylbutanoyl]Oxy}-4,9-Epoxycevan-3-Yl (2S)-2-Hydroxy-2-Methylbutanoate
Properties
| Property | Value |
|---|---|
| Formula | C37H59NO11 |
| IUPAC Name | (3beta,4alpha,7alpha,9xi,15alpha,16beta)-4,7,14,16,20-pentahydroxy-15-{[(2r)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2s)-2-hydroxy-2-methylbutanoate |
| Molecular Mass | 693.864 g·mol−1 |
| Heat of Formation | -2398.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.22 ± 1.08 D |
| Volume | 822.91 Å 3 |
| Surface Area | 590.82 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | 0.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JOBMMOBXVRRLOS-PRIJCJNKSA-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 |