Iso-Acteoside

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Properties Simple | Detailed

Formula C29H36O15
IUPAC Name [(2r,3r,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2541.3 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 716.96 Å 3
Surface Area 573.0 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-o-(6-deoxy-.alpha.-l-mannopyranosyl)-6-o-[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
  • acteoside isomer
  • isoacteoside
InChIKey FNMHEHXNBNCPCI-QEOJJFGVSA-N
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