4H-1-Benzopyran-4-One, 8-β-D-Glucopyranosyl-7-Hydroxy-5-Methyl-2-(2-Oxopropyl)-

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Properties Simple | Detailed

Formula C19H22O9
IUPAC Name 2-acetonyl-7-hydroxy-5-methyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Molecular Mass 394.373 g·mol−1
Heat of Formation -1555.8 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 433.77 Å 3
Surface Area 362.5 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
  • 2-acetonyl-7-hydroxy-5-methyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • 4h-1-benzopyran-4-one, 8-.beta.-d-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-
  • 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • aloe resin b
  • aloeresin b
  • aloersin b
  • aloesin
CAS Number(s)
  • 30861-27-9
InChIKey HKIKAXXIWJHWLY-ZIIYPAMZSA-N
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