28-Methyl-6-Oxo-5,6,12,13-Tetrahydroveratraman-3-Yl β-D-Allopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C34H57NO7 |
| IUPAC Name | (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(1r,2r,5s)-1,5-dimethyl-2-piperidyl]ethyl]-10,11b-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one |
| Molecular Mass | 591.819 g·mol−1 |
| Heat of Formation | -1526.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.32 ± 1.08 D |
| Volume | 744.24 Å 3 |
| Surface Area | 560.17 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | 0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OAWUSFAEJKJJFY-QMOURHLYSA-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 |