Cirsimarin

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Properties Simple | Detailed

Formula C23H25O11+
IUPAC Name 5-hydroxy-6,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 477.438 g·mol−1
Heat of Formation -1655.1 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 516.43 Å 3
Surface Area 445.16 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(beta-d-glucopyranosyloxy)phenyl)-5-hydroxy-6,7-dimethoxy-4h-1-benzopyran-4-one
  • 4h-1-benzopyran-4-one, 2-(4-(beta-d-glucopyranosyloxy)phenyl)-5-hydroxy-6,7-dimethoxy-
  • 5-hydroxy-6,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • 5-hydroxy-6,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5-hydroxy-6,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone
  • 5-hydroxy-6,7-dimethoxy-2-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
  • cirsitakaoside
CAS Number(s)
  • 13020-19-4
InChIKey RETJLKUBHXTIGH-FZFRBNDOSA-N
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