(1R,2Z,4R,8R,9R,11R)-1-Hydroxy-2,11-Dimethyl-7-Methylene-6-Oxo-5,14-Dioxatricyclo[9.2.1.0~4,8~]Tetradeca-2,12-Dien-9-Yl 2-Methylpropanoate

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Formula C19H24O6
IUPAC Name (1r,2z,4r,8r,9r,11r)-1-hydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0 4,8 ]tetradeca-2,12-dien-9-yl 2-methylpropanoate
Molecular Mass 348.390 g·mol−1
Heat of Formation -995.8 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 420.25 Å 3
Surface Area 334.6 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • tagitinin f
CAS Number(s)
  • 59979-57-6
InChIKey XJUPOHKZSDZNBE-QDHYIOMWSA-N
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