(3S,3Ar,4S,9R,9As,9Bs)-9-Hydroxy-3,6,9-Trimethyl-2-Oxo-2,3,3A,4,5,9,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl Acetate

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name [(3s,3ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
Molecular Mass 306.354 g·mol−1
Heat of Formation -897.2 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 370.26 Å 3
Surface Area 310.62 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3s-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta))-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno(4,5-b)-3h-furan-4-yl acetate
  • [(3s,3ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] ethanoate
  • acetic acid [(3s,3ar,4s,9r,9as,9bs)-9-hydroxy-2-keto-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[5,4-d]furan-4-yl] ester
  • acetic acid [(3s,3ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester
  • lmpr01030023
  • matricin
CAS Number(s)
  • 29041-35-8
InChIKey SYTRJRUSWMMZLV-VQGWEXQJSA-N
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