(2S,3R,4Ar,9Ar)-7-{(E)-2-[3,5-Dihydroxy-4-(3-Methyl-2-Buten-1-Yl)Phenyl]Vinyl}-5-Methoxy-1,1,4A-Trimethyl-2,3,4,4A,9,9A-Hexahydro-1H-Xanthene-2,3-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C30H38O6
IUPAC Name (2s,3r,4ar,9ar)-7-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
Molecular Mass 494.619 g·mol−1
Heat of Formation -1001.0 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 604.1 Å 3
Surface Area 499.03 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4ar,9ar)-7-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
InChIKey IYHZCJNEODJYKB-DMCZWXATSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O