9H-Xanthen-9-One, 1-(3,7-Dimethyl-2,6-Octadienyl)-3,6,8-Trihydroxy-5-(4-Hydroxy-3-Methyl-2-Butenyl)-2-Methoxy-

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Properties Simple | Detailed

Formula C29H34O7
IUPAC Name (10ar)-7-methoxy-4-[[2-(oxomethylene)cyclopropylidene]methylene]-8-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]-5,7,8,8a,9a,10a-hexahydro-4ah-xanthene-1,3,6,9-tetrone
Molecular Mass 494.576 g·mol−1
Heat of Formation -1124.1 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 599.48 Å 3
Surface Area 497.56 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-5-[(e)-4-hydroxy-3-methyl-but-2-enyl]-2-methoxy-xanthen-9-one
  • 1-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-5-[(e)-4-hydroxy-3-methyl-but-2-enyl]-2-methoxy-xanthone
  • 1-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-5-[(e)-4-hydroxy-3-methylbut-2-enyl]-2-methoxy-9-xanthenone
  • 1-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-5-[(e)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one
  • isocowanol
CAS Number(s)
  • 105742-85-6
InChIKey OCKLFXKYZPPEFU-BEQMOXJMSA-N
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