Lactucaside

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Properties Simple | Detailed

Formula C26H32O13
IUPAC Name (2s,3r,4s,5s,6r)-2-[[(1s,3r,3as,4s,6s,6as)-3-hydroxy-1,4-bis(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 552.524 g·mol−1
Heat of Formation -2125.8 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 615.74 Å 3
Surface Area 486.61 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[[(1s,3s,3as,4s,6r,6as)-6-hydroxy-1,4-bis(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,3s,3as,4s,6r,6as)-6-hydroxy-1,4-bis(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,3s,3as,4s,6r,6as)-6-hydroxy-1,4-bis(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,3s,3as,4s,6r,6as)-6-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,3s,3as,4s,6r,6as)-6-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey PVLQCQIILHIDGG-BFDPLWEFSA-N
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