(5Z)-7-{(1S,2S,4R,5S,6S,7R)-7-[(1E,3R)-3-Hydroxy-5-(4-Hydroxyphenyl)-1-Penten-1-Yl]-3,8-Dioxatricyclo[3.2.1.0~2,4~]Oct-6-Yl}-5-Heptenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H30O6 |
| IUPAC Name | (z)-7-[(1r,2s,4r,5s,6s,7r)-7-[(e,3r)-3-hydroxy-5-(4-hydroxyphenyl)pent-1-enyl]-3,8-dioxatricyclo[3.2.1.02,4]octan-6-yl]hept-5-enoic acid |
| Molecular Mass | 414.491 g·mol−1 |
| Heat of Formation | -852.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.02 ± 1.08 D |
| Volume | 506.79 Å 3 |
| Surface Area | 410.73 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | 0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NJABDNZVADRMNM-UNFINRCHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |