(1Ar,2S,4Ar,7R,7Ar,7Br)-7-Hydroxy-1,1,7-Trimethyl-4-Methylenedecahydro-1H-Cyclopropa[E]Azulen-2-Yl (2E)-3-Phenylacrylate

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Formula C24H30O3
IUPAC Name [(1ar,2s,4ar,7r,7ar,7br)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-2-yl] (e)-3-phenylprop-2-enoate
Molecular Mass 366.493 g·mol−1
Heat of Formation -407.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 472.78 Å 3
Surface Area 392.07 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenoic acid, 3-phenyl-, decahydro-7-hydroxy-1,1,7-trimethyl-4-methylene-1h-cycloprop(e)azulen-2-yl ester, (1ar-(1aalpha,2alpha,4aalpha,7beta,7abeta,7balpha))-
  • guayulin-c
CAS Number(s)
  • 107812-57-7
InChIKey AEXQMXFOIBLFPN-JHNOMLDSSA-N
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