(1α,5Beta,6Beta,8α,9Beta,10α,13α,14R)-6,7,14-Trihydroxy-15-Oxo-7,20-Epoxykaur-16-En-1-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C22H30O7 |
IUPAC Name | [(1s,2s,5s,8r,9s,10s,11r,15s,18r)-9,10,18-trihydroxy-12,12-dimethyl-6-methylene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate |
Molecular Mass | 406.469 g·mol−1 |
Heat of Formation | -1302.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.81 ± 1.08 D |
Volume | 463.04 Å 3 |
Surface Area | 348.45 Å 2 |
HOMO Energy | -9.77 ± 0.55 eV |
LUMO Energy | -0.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | DJQLJZNVICMJRV-NGPIVHDLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |