Hesperidin Methyl Chalcone

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Properties Simple | Detailed

Formula C17H6O15
IUPAC Name 4-(dioxiran-3-yl)buta-1,3-diyn-1-ol; 6-methylenetetrahydropyran-2,3,4,5-tetrone; molecular oxygen
Molecular Mass 450.221 g·mol−1
Heat of Formation -2465.1 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 700.15 Å 3
Surface Area 564.61 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-(4-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
  • (e)-3-(3-hydroxy-4-methoxy-phenyl)-1-[2-hydroxy-6-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-phenyl]prop-2-en-1-one
  • (e)-3-(3-hydroxy-4-methoxy-phenyl)-1-[2-hydroxy-6-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one
  • (e)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
  • (e)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]phenyl]prop-2-en-1-one
  • 1-(4-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
  • 2-propen-1-one, 1-(4-((6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-hydroxy-6-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-, (2e)-
  • bb_nc-0496
  • chalcone, 2',3,4'-trihydroxy-4,6'-dimethoxy-, 4'-(6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside)
  • hesperidin methylchalcone
CAS Number(s)
  • 24292-52-2
  • 25429-20-3
InChIKey FDHNLHLOJLLXDH-JIYHLSBYSA-N
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