5-{(E)-2-[(2S,4As,9As)-2-Hydroxy-5-Methoxy-1,1,4A-Trimethyl-2,3,4,4A,9,9A-Hexahydro-1H-Xanthen-7-Yl]Vinyl}-2-(3-Methyl-2-Buten-1-Yl)-1,3-Benzenediol
Properties
| Property | Value |
|---|---|
| Formula | C30H38O5 |
| IUPAC Name | 5-[(e)-2-[(7s,8as,10as)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]vinyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Molecular Mass | 478.620 g·mol−1 |
| Heat of Formation | -828.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.50 ± 1.08 D |
| Volume | 596.4 Å 3 |
| Surface Area | 502.63 Å 2 |
| HOMO Energy | -8.19 ± 0.55 eV |
| LUMO Energy | -0.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BUFNPAYKUGAAAO-HDZXXTJNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |