(2S,4Ar,6R,7R,8S,8Ar)-2-(3,4-Dihydroxyphenyl)-6-(Hydroxymethyl)-8-{[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}Hexahydro-4Ah-Pyrano[2,3-B][1,4]Dioxin-7-Yl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H34O15
IUPAC Name [(2s,4ar,6r,7r,8s,8ar)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-7-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 622.571 g·mol−1
Heat of Formation -2461.5 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 687.94 Å 3
Surface Area 538.16 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey FPOYEEKZOOLVJA-WLLRULDYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O