6-Hydroxy-5-Methoxy-1-Oxo-9-Phenyl-1H-Phenalen-2-Yl 4-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C32H34O14
IUPAC Name 2-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-5-methoxy-9-phenyl-phenalen-1-one
Molecular Mass 642.604 g·mol−1
Heat of Formation -2139.6 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 711.25 Å 3
Surface Area 575.81 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-phenalen-1-one, 6-((4-o-beta-d-glucopyranosyl-d-glucopyranosyl)oxy)-2-hydroxy-5-methoxy-9-phenyl-
  • 2-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-hydroxy-5-methoxy-9-phenyl-phenalen-1-one
  • 2-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-5-methoxy-9-phenylphenalen-1-one
  • 2-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-5-methoxy-9-phenyl-phenalen-1-one
  • 2-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-hydroxy-5-methoxy-9-phenyl-phenalen-1-one
  • 2-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-6-hydroxy-5-methoxy-9-phenyl-1-phenalenone
  • haemocorin
  • hemocorin
CAS Number(s)
  • 20559-12-0
  • 33404-39-6
  • 11034-94-9
InChIKey FNZZYRONWCJZTM-CXWOCMNWSA-N
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