6-(3,4-Dihydroxybenzyl)-9,10-Dihydroxy-5-(4-Hydroxy-2-Methoxyphenyl)-1,3-Dimethoxy-2H-Benzo[A]Xanthen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C33H26O10
IUPAC Name 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxy-phenyl)-1,3-dimethoxy-benzo[a]xanthen-2-one
Molecular Mass 582.554 g·mol−1
Heat of Formation -1123.9 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 643.11 Å 3
Surface Area 499.53 Å 2
HOMO Energy -7.69 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 6-((3,4-dihydroxyphenyl)methyl)-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9h-benzo(a)xanthen-9-one
  • 6-(3,4-dihydroxybenzyl)-9,10-dihydroxy-5-(4-hydroxy-2-methoxy-phenyl)-1,3-dimethoxy-benzo[a]xanthen-2-one
  • 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2-benzo[a]xanthenone
  • 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxybenzo[a]xanthen-2-one
  • 9h-benzo(a)xanthen-9-one, 6-((3,4-dihydroxyphenyl)methyl)-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-
  • santalin a
CAS Number(s)
  • 38185-48-7
InChIKey WPNYFKJDYXQIGA-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