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

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Formula C23H30O4
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] 4-methoxybenzoate
Molecular Mass 370.482 g·mol−1
Heat of Formation -632.6 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 472.22 Å 3
Surface Area 386.45 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • benzoic acid, 4-methoxy-, decahydro-7-hydroxy-1,1,7-trimethyl-4-methylene-1h-cycloprop(e)azulen-2-yl ester, (1ar-(1aalpha,2alpha,4aalpha,7beta,7abeta,7balpha))-
  • guayulin d
  • guayulin-d
CAS Number(s)
  • 107812-58-8
InChIKey CEVKCBWYLBDENS-LAXOQTEDSA-N
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