Eruberin B

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Properties Simple | Detailed

Formula C30H40O15
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,4s)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Mass 640.630 g·mol−1
Heat of Formation -2630.8 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 728.75 Å 3
Surface Area 532.96 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,4s)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,4s)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,4s)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-5-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,4s)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-chromanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey WZHCAAJIMBUYAS-KXKATYLASA-N
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