(3Ar,4S,6Ar,8R,9S,9Ar,9Br)-8-Hydroxy-3,6-Bis(Methylene)-2-Oxodecahydro-2H-Spiro[Azuleno[4,5-B]Furan-9,2'-Oxiran]-4-Yl (2S)-2-Methyl-2-Oxiranecarboxylate

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Formula C19H22O7
IUPAC Name [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylene-2-oxo-spiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2s)-2-methyloxirane-2-carboxylate
Molecular Mass 362.374 g·mol−1
Heat of Formation -858.6 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 422.24 Å 3
Surface Area 326.54 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-methyl-2-oxiranecarboxylic acid [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylene-2-oxo-4-spiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]yl] ester
  • (2s)-2-methyloxirane-2-carboxylic acid [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-2-keto-3,6-dimethylene-spiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-9,2'-oxirane]-4-yl] ester
  • [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylene-2-oxo-spiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2s)-2-methyloxirane-2-carboxylate
  • [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylidene-2-oxo-spiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2s)-2-methyloxirane-2-carboxylate
  • [(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2s)-2-methyloxirane-2-carboxylate
  • oxiranecarboxylic acid, 2-methyl-, decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro(azuleno(4,5-b)furan-9(2h),2'-oxiran)-4-yl ester, (3ar-(3aalpha,4alpha(s*),6aalpha,8beta,9alpha,9aalpha,9bbeta))-
CAS Number(s)
  • 11024-67-2
InChIKey HQZJODBJOBTCPI-VHCPEVEQSA-N
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