(1S,4R,5R,6S,7S)-3-Allyl-4-Hydroxy-1-Methoxy-7-Methyl-6-(3,4,5-Trimethoxyphenyl)Bicyclo[3.2.1]Oct-2-En-8-One
Properties
| Property | Value |
|---|---|
| Formula | C22H28O6 |
| IUPAC Name | (1s,2s,5s,6r,7r)-3-allyl-2-hydroxy-5-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-en-8-one |
| Molecular Mass | 388.454 g·mol−1 |
| Heat of Formation | -808.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.08 ± 1.08 D |
| Volume | 472.46 Å 3 |
| Surface Area | 365.38 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | 0.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NWXSUVZITFIXOL-JWINYMQQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |