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

Molecule SVG Image

Properties Simple | Detailed

Formula C29H36O5
IUPAC Name (2r,4ar,9ar)-7-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,5-diol
Molecular Mass 464.593 g·mol−1
Heat of Formation -858.0 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 575.24 Å 3
Surface Area 483.29 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4ar,9ar)-7-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,5-diol
  • (2r,4ar,9ar)-7-[(e)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,5-diol
InChIKey CGJIPMVTBQUUQL-GEDZTWKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O