9-(1,3-Benzodioxol-5-Yl)-4-(β-D-Glucopyranosyloxy)-6,7-Dimethoxynaphtho(2,3-C)Furan-1(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H26O12
IUPAC Name 9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3h-benzo[f]isobenzofuran-1-one
Molecular Mass 542.488 g·mol−1
Heat of Formation -1685.2 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 594.87 Å 3
Surface Area 465.39 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1h-benzo[f][2]benzoxol-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1h-benzo[f]isobenzofuran-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1h-benzo[f]isobenzofuran-3-one
  • 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1h-benzo[f]isobenzofuran-3-one
  • cleistanthin b
CAS Number(s)
  • 30021-77-3
InChIKey BJGIWVGXMRUMNA-WBYCZGBQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O