2-(3,5-Dihydroxy-4-Methoxyphenyl)-6-(3-Methyl-2-Buten-1-Yl)-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H30O11
IUPAC Name 2-methoxy-5-[6-[[(1s)-2-methylenecyclopropyl]methyl]-4-oxo-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-yl]cyclohexane-1,3-dione
Molecular Mass 530.520 g·mol−1
Heat of Formation -1704.3 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 608.93 Å 3
Surface Area 508.68 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,5-dihydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 2-(3,5-dihydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,5-dihydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 3',5',7-trihydroxy-4'-methoxy-6-(3,3-dimethylallyl)flavone-7-glucopyranoside
  • 4h-1-benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-7-(beta-d-glucopyranosyloxy)-6-(3-methyl-2-butenyl)-
  • wushanicariin
CAS Number(s)
  • 115516-53-5
InChIKey LLNBDBPIVSGXJA-ZANOAUCBSA-N
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