(3Ar,4S,6Ar,8S,9S,9As,9Bs)-8-Hydroxy-3,6-Bis(Methylene)-2-Oxodecahydro-2H-Spiro[Azuleno[4,5-B]Furan-9,2'-Oxiran]-4-Yl (2S)-3-Chloro-2-Hydroxy-2-Methylpropanoate

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Properties Simple | Detailed

Formula C19H23ClO7
IUPAC Name [(3ar,4s,6ar,8s,9s,9as,9bs)-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)-3-chloro-2-hydroxy-2-methyl-propanoate
Molecular Mass 398.835 g·mol−1
Heat of Formation -1099.3 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 451.21 Å 3
Surface Area 357.22 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-chloro-2-hydroxy-2-methyl-propionic acid [(3ar,4s,6ar,8s,9s,9as,9bs)-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
  • (2s)-3-chloro-2-hydroxy-2-methylpropanoic acid [(3ar,4s,6ar,8s,9s,9as,9bs)-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
  • (3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-bis(methylidene)-2-oxodecahydro-2h-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate
  • [(3ar,4s,6ar,8s,9s,9as,9bs)-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)-3-chloro-2-hydroxy-2-methyl-propanoate
  • [(3ar,4s,6ar,8s,9s,9as,9bs)-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)-3-chloro-2-hydroxy-2-methyl-propanoate
  • acroptilin
  • chlorohyssopifolin c
CAS Number(s)
  • 41787-75-1
InChIKey RFRUYYQMUJRBAN-LKUPFZQBSA-N
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