8-Hydroxysantonin

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Formula C15H18O4
IUPAC Name (3s,3ar,4s,5as,9bs)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione
Molecular Mass 262.301 g·mol−1
Heat of Formation -631.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 312.04 Å 3
Surface Area 264.57 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3ar,4s,5as,9bs)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-dione
  • (3s,3ar,4s,5as,9bs)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-benzo[g]benzofuran-2,8-quinone
  • (3s,3ar,4s,5as,9bs)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3h-naphtho[7,8-d]furan-2,8-dione
  • 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2- b]furan-2,8(3h,4h)-dione
  • artemisin
  • lmpr01030020
  • naphtho(1,2-b)furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, (3s-(3alpha,3aalpha,4alpha,5abeta,9bbeta))-
  • sri-2813
CAS Number(s)
  • 1407-11-0
  • 481-05-0
InChIKey LUHMMHZLDLBAKX-DBIGVJDZSA-N
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