Oleuropein

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Properties Simple | Detailed

Formula C25H30O13
IUPAC Name methyl (4s,5e,6s)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate
Molecular Mass 538.498 g·mol−1
Heat of Formation -2220.5 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 615.2 Å 3
Surface Area 490.96 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5e,6s)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-keto-ethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylic acid methyl ester
  • (4s,5e,6s)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4h-pyran-3-carboxylic acid methyl ester
  • 2-(3,4-dihydroxyphenyl)ethyl (2s-(2alpha,3e,4beta))-3-ethylidene-2-(beta-d-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2h-pyran-4-acetate
  • 2h-pyran-4-acetic acid, 3-ethylidene-2-(.beta.-d-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, (2s,3e,4s)-
  • acon1_000443
  • megxp0_000369
  • methyl (4s,5e,6s)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate
  • methyl (4s,5e,6s)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylate
CAS Number(s)
  • 32619-42-4
InChIKey RFWGABANNQMHMZ-ZCHJGGQASA-N
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