4-({(3'S,4R,6'R)-7-Acetoxy-4-[(2E,4E,6E)-2,4,6-Decatrienoyloxy]-6',7-Dimethyl-6,8-Dioxo-3',4,4',5',6,6',7,8-Octahydrospiro[Isochromene-3,2'-Pyran]-3'-Yl}Oxy)-4-Oxobutanoic Acid
Properties
Property | Value |
---|---|
Formula | C31H36O12 |
IUPAC Name | 4-[(3s,3's,4r,6'r,7s)-7-acetoxy-4-[(2e,4e,6e)-deca-2,4,6-trienoyl]oxy-6',7-dimethyl-6,8-dioxo-spiro[4h-isochromene-3,2'-tetrahydropyran]-3'-yl]oxy-4-oxo-butanoic acid |
Molecular Mass | 600.610 g·mol−1 |
Heat of Formation | -1910.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.25 ± 1.08 D |
Volume | 704.89 Å 3 |
Surface Area | 547.29 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | 1.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | BNUGSCJDRYIKLJ-PMEWEBJCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |