(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]-1-[7-Methoxy-5-Methyl-4-Oxo-2-(2-Oxopropyl)-4H-Chromen-8-Yl]Glucitol

Molecule SVG Image

Properties Simple | Detailed

Formula C29H30O11
IUPAC Name [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 554.542 g·mol−1
Heat of Formation -1721.0 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 636.6 Å 3
Surface Area 452.36 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2s,3r,4s,5s,6r)-2-(2-acetonyl-4-keto-7-methoxy-5-methyl-chromen-8-yl)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] ester
  • (e)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2s,3r,4s,5s,6r)-2-(2-acetonyl-7-methoxy-5-methyl-4-oxo-8-chromenyl)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • 3-(4-hydroxy-phenyl)-acrylic acid 4,5-dihydroxy-6-hydroxymethyl-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxo-propyl)-4h-chromen-8-yl]-tetrahydro-pyran-3-yl ester
  • 7-o-methylaloeresin a
  • [(2s,3r,4s,5s,6r)-2-(2-acetonyl-7-methoxy-5-methyl-4-oxo-chromen-8-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • d-glucitol, 1,5-anhydro-2-o-[(2e)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-1-c-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4h-1-benzopyran-8-yl]-, (1s)-
InChIKey WRLXHKDQSQMWSH-ZTUNSOAWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O