(3Ar,4R,5R,7Ar,8Ar,8Br,8Cs)-4,8B-Dihydroxy-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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Formula C20H24O7
IUPAC Name (3ar,4r,5r,7ar,8ar,8br,8cs)-4,8b-dihydroxy-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 376.400 g·mol−1
Heat of Formation -1030.1 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 434.41 Å 3
Surface Area 343.23 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4,8b-dihydroxy-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))-
  • 5-hydroxytomacephalin
CAS Number(s)
  • 115995-14-7
InChIKey GUWZDJYPWDNEPS-BJKYDIMVSA-N
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