(1S,5S,6R,7R,8S)-3-Allyl-8-Hydroxy-1,5-Dimethoxy-7-(7-Methoxy-1,3-Benzodioxol-5-Yl)-6-Methylbicyclo[3.2.1]Oct-3-En-2-One
Properties
Property | Value |
---|---|
Formula | C22H26O7 |
IUPAC Name | (1s,5s,6s,7r,8r)-3-allyl-8-hydroxy-1,5-dimethoxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-bicyclo[3.2.1]oct-2-en-4-one |
Molecular Mass | 402.438 g·mol−1 |
Heat of Formation | -890.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.60 ± 1.08 D |
Volume | 472.19 Å 3 |
Surface Area | 353.8 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | -0.44 ± eV |
Point Group Symmetry | C1 |
InChIKey | WEUKJHJYSZGNIC-SMUOAUQSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |