Schweinfurthin B

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Formula C26H22O6
IUPAC Name (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
Molecular Mass 430.449 g·mol−1
Heat of Formation -1028.4 ± 16.7 kJ·mol−1
Dipole Moment 1.13 ± 1.08 D
Volume 719.56 Å 3
Surface Area 587.11 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4ar,9ar)-7-((e)-2-{4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1h-xanthene-2,3-diol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3-diol
  • 1h-xanthene-2,3-diol, 7-[(e)-2-[4-[(2e)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2s,3r,4ar,9ar)-
CAS Number(s)
  • 217476-93-2
InChIKey UPTXDGJFJGCFDE-NASSATPLSA-N
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