α-Santonin

• Formula: C₁₅H₁₈O₃
• Molecular weight: 246.3016
• IUPAC Standard InChI: InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 Copy

  
• IUPAC Standard InChIKey: XJHDMGJURBVLLE-BOCCBSBMSA-N Copy
• CAS Registry Number: 481-06-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • 6-α(H)-Santonin
  • 6,11-α(H)-Santonin
  • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3α,3aβ,5aα,9bα)]-
• Other names: Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3α,3aα,5aβ,9bβ)]-; Eudesma-1,4-dien-12-oic acid, 6α-hydroxy-3-oxo-, γ-lactone, (11S)-; (-)-α-Santonin; (-)-Santonin; (-)-Santonine; Santonin; Semenen; 1,2,3,4,4a,7-Hexahydro-1-hydroxy-α, 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid γ-lactone; l-α-Santonin; Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; Santoninic anhydride; 11-Epiisoeusantona-1,4-dienic acid, 6α-hydroxy-3-oxo-, γ-lactone; [3S-(3α,3aα,5aβ,9bβ)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; NSC 4900; α-Santonine; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione
• Information on this page:
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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