Desacetylmatricarin

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (3s,3ar,4s,9as,9br)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Molecular Mass 262.301 g·mol−1
Heat of Formation -656.9 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 310.62 Å 3
Surface Area 266.58 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3ar,4s,9as,9br)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[5,4-d]furan-2,7-dione
  • (3s,3ar,4s,9as,9br)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[5,4-d]furan-2,7-quinone
  • bb_nc-0663
  • bpbio1_000883
InChIKey YMUOZXZDDBRJEP-XUNJKSNWSA-N
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Elements H C O