Anisatin

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Properties Simple | Detailed

Formula C15H20O8
IUPAC Name (1s,2r,4r,5r,6s,7r,8r,11r)-4,5,7,11-tetrahydroxy-2,7-dimethyl-spiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
Molecular Mass 328.315 g·mol−1
Heat of Formation -1384.0 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 345.42 Å 3
Surface Area 264.96 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-anisatin
  • spiro(6h-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1h)-dione, 4a-beta,5,6a,7,8,9-hexahydro-5,9a-dimethyl-1-alpha,5-beta,6a-beta,7-beta-tetrahydroxy-
  • spiro(6h-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1h)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1r,3's,4r,5r,6ar,7r,9r,9as)-
  • spiro(6h-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1h)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1r-(1alpha,4beta,5beta,6beta,6abeta,7beta,9alpha,9abeta))-
CAS Number(s)
  • 11011-16-8
  • 18437-03-1
  • 5230-87-5
InChIKey GEVWHIDSUOMVRI-QWNPAUMXSA-N
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