Xestodecalactone A

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Properties Simple | Detailed

Formula C14H16O5
IUPAC Name (4r)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
Molecular Mass 264.274 g·mol−1
Heat of Formation -879.9 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 304.02 Å 3
Surface Area 263.39 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
  • (4r)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-quinone
  • 1,3-dihydroxy-8-methyl-8,9,10,11-tetrahydro-5h-7-oxa-benzocyclodecene-6,12-dione
  • 2h-3-benzoxecin-2,8(1h)-dione, 4,5,6,7-tetrahydro-9,11-dihydroxy-4-methyl-
  • 9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-2h-3-benzoxecine-2,8(1h)-dione
InChIKey AQNZLWYQYFPMBX-MRVPVSSYSA-N
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