6-Hydroxy-1-Methyl-5,12-Dioxo-5,12-Dihydrobenzo[H]Chromeno[5,4,3-Cde]Chromen-10-Yl 6-Deoxy-2-O-(6-Deoxy-α-D-Galactopyranosyl)-Beta-D-Galactopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C31H30O14
IUPAC Name 2-[2-[(6-ethynyl-5,7-dihydroperoxy-4-oxo-1,3a-dihydroinden-1-yl)oxy]-6-methylene-4,5-dioxo-pyran-3-yl]oxy-6-methylene-tetrahydropyran-3,4,5-trione
Molecular Mass 626.561 g·mol−1
Heat of Formation -2237.8 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 660.63 Å 3
Surface Area 503.9 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 10-((6-deoxy-2-o-(6-deoxy-alpha-d-galactopyranosyl)-beta-d-galactopyranosyl)oxy)-6-hydroxy-1-methylbenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione
  • 3''-demethylchartreusin
  • benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-o-(6-deoxy-alpha-d-galactopyranosyl)-beta-d-galactopyranosyl)oxy)-6-hydroxy-1-methyl-
CAS Number(s)
  • 128229-64-1
InChIKey YEHWMDOPGZMLDO-LGBQEXNSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O