(3S,3As,5Ar,9R,9As,9Bs)-9-Hydroxy-3,5A,9-Trimethyl-3A,5,5A,9,9A,9B-Hexahydronaphtho[1,2-B]Furan-2,6(3H,4H)-Dione

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-dione
Molecular Mass 264.317 g·mol−1
Heat of Formation -724.9 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 315.91 Å 3
Surface Area 264.3 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-dione
  • (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g]benzofuran-2,6-quinone
  • 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3h,4h)-dione
  • barrelin
  • judaicin
  • judaicin (sesquiterpene)
  • naphtho(1,2-b)furan-2,6(3h,4h)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3s,3as,5ar,9r,9as,9bs)-
  • naphtho(1,2-b)furan-2,6(3h,4h)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3s-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-
  • stk013739
  • tauremisin
  • tauremizin
  • vulgarin
CAS Number(s)
  • 1351-48-0
  • 3162-56-9
  • 17237-80-8
  • 34319-09-0
  • 5091-07-6
InChIKey NGPDZEACIWDCKX-WUDKWMPASA-N
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