(1R,2R,6R,7R,8R,9R,10S,12S)-12-Hydroperoxy-9-Hydroxy-6-Isopropyl-3,9-Dimethyl-13-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadec-3-En-10-Yl Acetate

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Formula C22H34O6
IUPAC Name [(1r,2r,6r,7r,8r,9r,10s,12s)-12-hydroperoxy-9-hydroxy-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-10-yl] acetate
Molecular Mass 394.502 g·mol−1
Heat of Formation -954.1 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 489.37 Å 3
Surface Area 366.56 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 5,12-epoxybenzocyclodecene-6,7-diol, 3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-9-hydroperoxy-1,6-dimethyl-10-methylene-4-(1-methylethyl)-, 7-acetate, (4r,4ar,5r,6r,7s,9s,12r,12ar)-
  • alcyonin
CAS Number(s)
  • 115834-33-8
InChIKey FWTHLONYJCIPFC-DIHPLBBDSA-N
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