Iso-Mallotochromanol
Properties
Property | Value |
---|---|
Formula | C24H28O9 |
IUPAC Name | 1-[3-[[(3s)-6-acetyl-3,5,7-trihydroxy-2,2-dimethyl-chroman-8-yl]methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone |
Molecular Mass | 460.474 g·mol−1 |
Heat of Formation | -1579.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.59 ± 1.08 D |
Volume | 523.58 Å 3 |
Surface Area | 406.66 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | 2.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | XBXKUYYCBXJGEN-OAHLLOKOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |