(4S,4Ar,7Ar,8R,9Ar)-4-Hydroxy-3-(Hydroxymethyl)-4A,8-Dimethyl-4,4A,7A,8,9,9A-Hexahydroazuleno[6,5-B]Furan-2,5-Dione

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Properties Simple | Detailed

Formula C15H18O5
IUPAC Name (3ar,5r,5ar,8ar,9s)-9-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-4,5,5a,9-tetrahydro-3ah-azuleno[6,7-b]furan-2,8-dione
Molecular Mass 278.300 g·mol−1
Heat of Formation -769.8 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 320.06 Å 3
Surface Area 266.46 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,5ar,8ar,9s)-9-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-4,5,5a,9-tetrahydro-3ah-azuleno[7,6-d]furan-2,8-dione
  • (3ar,5r,5ar,8ar,9s)-9-hydroxy-5,8a-dimethyl-1-methylol-4,5,5a,9-tetrahydro-3ah-azuleno[7,6-d]furan-2,8-quinone
  • azuleno(6,5-b)furan-2,5-dione, 4,4a,7a,8,9,9a-hexahydro-4-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-, (4s-(4alpha,4abeta,7aalpha,8alpha,9aalpha))-
  • isohelenol
CAS Number(s)
  • 71013-32-6
InChIKey HNDYFBSTNFZJEB-JMLQNSIWSA-N
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