5,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methyl-2-Buten-1-Yl)-4-Oxo-4H-Chromen-3-Yl 6-Deoxy-α-L-Mannopyranoside

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Properties Simple | Detailed

Formula C26H28O10
IUPAC Name 8-[[(1r)-2-methylenecyclopropyl]methyl]-2-(4-oxocyclohexa-2,5-dien-1-yl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromene-6,8-diide-4,5,7-trione
Molecular Mass 500.495 g·mol−1
Heat of Formation -1629.0 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 566.07 Å 3
Surface Area 452.8 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 3-((6-deoxy-alpha-l-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromone
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-chromenone
  • 8-((2e)-3-methylbut-2-enyl)-3-((2s,6s,3r,4r,5r)-3,4,5-trihydroxy-6-methylperhydropyran-2-yloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Number(s)
  • 55395-07-8
InChIKey RPLMLWBOUPDPQF-GULSFEPBSA-N
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