Xestodecalactone C

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Formula C14H16O6
IUPAC Name (4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
Molecular Mass 280.273 g·mol−1
Heat of Formation -1060.8 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 316.57 Å 3
Surface Area 271.26 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
  • (4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-quinone
InChIKey OESLECARYLNMSC-CBAPKCEASA-N
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Elements H C O