(3Ar,4R,5R,7Ar,8As,8Bs,8Cs)-4-Hydroxy-6,8A-Dimethyl-3-Methylene-2-Oxo-2,3,3A,4,5,7,7A,8A,8B,8C-Decahydrooxireno[2,3]Azuleno[4,5-B]Furan-5-Yl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H24O6
IUPAC Name (3ar,4r,5r,7ar,8as,8bs,8cs)-4-hydroxy-6,8a-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-5-yl 3-methyl-2-butenoate
Molecular Mass 360.401 g·mol−1
Heat of Formation -842.0 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 428.08 Å 3
Surface Area 358.8 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4-hydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno(2,3)azuleno(4,5-b)furan-5-yl ester, (3ar-(3aalpha,4alpha,5beta,7abeta,8abeta,8balpha,8cbeta))-
  • tomencephalin
CAS Number(s)
  • 115995-13-6
InChIKey LLPXLHVIJKRQCO-UYXWQMAOSA-N
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