2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-5-{(E)-2-[(2S,4As,9As)-2-Hydroxy-5-Methoxy-1,1,4A-Trimethyl-2,3,4,4A,9,9A-Hexahydro-1H-Xanthen-7-Yl]Vinyl}-1,3-Benzenediol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H20O5
IUPAC Name 5-[(e)-2-[(7s,8as,10as)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-yl]ethenyl]-2-[(2e)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
Molecular Mass 424.445 g·mol−1
Heat of Formation -855.9 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 705.1 Å 3
Surface Area 577.49 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey KFXCPWWUGCRWRS-NRKDNTHDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O