(2S)-5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl 6-O-Acetyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26O12
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chroman-7-yl]oxy-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 506.456 g·mol−1
Heat of Formation -1954.3 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 559.14 Å 3
Surface Area 442.9 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 7-((6-o-acetyl-beta-d-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (s)-
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chroman-7-yl]oxy-oxan-2-yl]methyl ethanoate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chroman-7-yl]oxy-tetrahydropyran-2-yl]methyl acetate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochroman-7-yl]oxyoxan-2-yl]methyl acetate
  • acetic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-chroman-7-yl]oxy-tetrahydropyran-2-yl]methyl ester
  • acetic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(2s)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-chromanyl]oxy]-2-tetrahydropyranyl]methyl ester
  • homoeriodictyol-7-o-(6''-o-acetyl)glucopyranoside
CAS Number(s)
  • 118985-26-5
InChIKey GPCKIXOOCSOBEC-AKRDZZKRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O