(1R,3Xi,6S)-3-O-Acetyl-1,4:2,6-Dianhydro-1-Ethyl-6-[(1E,3E,5E)-6-(4-Methoxy-5-Methyl-2-Oxo-2H-Pyran-6-Yl)-1,3,5-Hexatrien-1-Yl]-2,4-Dimethyl-L-Arabino-Hexitol
Properties
Property | Value |
---|---|
Formula | C25H32O8 |
IUPAC Name | [(1r,3r,4r,5r,7s,8s)-7-ethyl-4-hydroxy-3-[(1e,3e,5e)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate |
Molecular Mass | 460.517 g·mol−1 |
Heat of Formation | -1209.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.82 ± 1.08 D |
Volume | 550.58 Å 3 |
Surface Area | 463.92 Å 2 |
HOMO Energy | -8.76 ± 0.55 eV |
LUMO Energy | 2.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | QXCOFYWOWZJFEA-DWUHWWJMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |