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

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Properties Simple | Detailed

Formula C28H29O11+
IUPAC Name [(2s,3r,4s,5s,6r)-2-(2-acetonyl-7-hydroxy-5-methyl-4-oxo-chromen-8-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Mass 541.523 g·mol−1
Heat of Formation -1751.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 603.31 Å 3
Surface Area 466.42 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)acrylic acid [(2s,3r,4s,5s,6r)-2-(2-acetonyl-7-hydroxy-4-keto-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-hydroxy-5-methyl-4-oxo-8-chromenyl)-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester
  • [(2s,3r,4s,5s,6r)-2-(2-acetonyl-7-hydroxy-5-methyl-4-oxo-chromen-8-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate
  • aloeresin a
InChIKey QACRJXSXSVUOFZ-HINKZNOMSA-N
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