5,9-Dihydroxy-10-Methoxy-2,2-Dimethyl-11-(3-Methyl-2-Buten-1-Yl)-3,4-Dihydro-2H,12H-Pyrano[2,3-A]Xanthen-12-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26O6
IUPAC Name 5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one
Molecular Mass 410.460 g·mol−1
Heat of Formation -933.7 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 483.66 Å 3
Surface Area 391.85 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isomangostin
  • 5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-3,4-dihydropyrano[6,5-a]xanthen-12-one
  • i-isomangostin
CAS Number(s)
  • 19275-44-6
InChIKey JUHXHWKPHWGZKL-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O