(1R,2S,4R,8S,9R,11R,12S)-1,12-Dihydroxy-2,11-Dimethyl-7-Methylene-6-Oxo-5,14-Dioxatricyclo[9.2.1.0~4,8~]Tetradec-9-Yl 2-Methylpropanoate

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Formula C19H28O7
IUPAC Name (1r,2s,4r,8s,9r,11r,12s)-1,12-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0 4,8 ]tetradec-9-yl 2-methylpropanoate
Molecular Mass 368.421 g·mol−1
Heat of Formation -1368.3 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 441.03 Å 3
Surface Area 340.33 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • acon0_000437
  • acon1_000272
  • megxp0_000075
CAS Number(s)
  • 59979-61-2
InChIKey HREHFPZHVCNOMQ-XNNFIIJVSA-N
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