(1Ar,3S,4E,5Ar,8Ar,9R,10Ar)-3-Hydroxy-4,10A-Dimethyl-8-Methylene-7-Oxo-1A,2,3,5A,7,8,8A,9,10,10A-Decahydrooxireno[5,6]Cyclodeca[1,2-B]Furan-9-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(1r,2r,4r,6r,8s,9e,11r)-8-hydroxy-4,9-dimethyl-14-methylene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (z)-2-methylbut-2-enoate
Molecular Mass 362.417 g·mol−1
Heat of Formation -885.2 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 438.0 Å 3
Surface Area 339.91 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1ar-(1ar*,3s*,4z,5ar*,8ar*,9r*(z),10ar*))-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno(5,6)cyclodeca(1,2-b)furan-9-yl 2-methyl-2-butanoate
  • 2-butanoic acid, 2-methyl-, 1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester, (1ar-(1ar*,3s*,4z,5ar*,8ar*,9r*(z),10ar*))-
  • leptocarpin
CAS Number(s)
  • 73522-63-1
InChIKey DZTWAOVNNLDWNH-OUWGJGOXSA-N
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