(3R,3As,6R,6As,9S,10Ar)-9-Hydroxy-3,6,9-Trimethyl-3A,6,6A,7,8,9,10A,10B-Octahydrooxepino[4,3,2-Ij]Isochromen-2(3H)-One
Properties
Property | Value |
---|---|
Formula | C15H22O4 |
IUPAC Name | (3r,3as,6r,6as,9s,10ar)-9-hydroxy-3,6,9-trimethyl-3a,6,6a,7,8,9,10a,10b-octahydrooxepino[4,3,2-ij]isochromen-2(3h)-one |
Molecular Mass | 266.333 g·mol−1 |
Heat of Formation | -808.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.13 ± 1.08 D |
Volume | 324.2 Å 3 |
Surface Area | 269.7 Å 2 |
HOMO Energy | -9.89 ± 0.55 eV |
LUMO Energy | 0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZHHCFKHSMKRNCX-JNCLOQOWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |