1-[(2Z)-3,7-Dimethyl-2,6-Octadien-1-Yl]-3,6,8-Trihydroxy-2-Methoxy-9H-Xanthen-9-One

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Properties Simple | Detailed

Formula C24H27O6+
IUPAC Name 1-[(2z)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-xanthen-9-one
Molecular Mass 411.468 g·mol−1
Heat of Formation -912.4 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 488.68 Å 3
Surface Area 405.8 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2z)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-9-xanthenone
  • 1-[(2z)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-xanthen-9-one
  • 1-[(2z)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-xanthone
  • 1-[(2z)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxyxanthen-9-one
  • rubra-xanthone
  • rubraxanthone
CAS Number(s)
  • 65411-01-0
InChIKey JLTSTSRANGPLOQ-ZSOIEALJSA-N
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