Schweinfurthin A

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Formula C26H18O6
IUPAC Name (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3,5-triol
Molecular Mass 426.418 g·mol−1
Heat of Formation -1060.6 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 696.17 Å 3
Surface Area 567.34 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.36 ± 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)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1h-xanthene-2,3,5-triol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3,5-triol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]vinyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3,5-triol
  • (2s,3r,4ar,9ar)-7-[(e)-2-[4-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]vinyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2h-xanthene-2,3,5-triol
  • 1h-xanthene-2,3,5-triol, 7-[(e)-2-[4-[(2e)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2s,3r,4ar,9ar)-
CAS Number(s)
  • 217476-92-1
InChIKey HSDZWMOBUPRZEU-LXYWBZBZSA-N
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