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:
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• 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
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• Information on this page:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cocker, McMurry, et al., 1964
Cocker, W.; McMurry, T.B.H.; Frisch, M.A.; McAllister, T.; Mackle, H., Stabilities of some santonin derivatives, Tetrahedron Lett., 1964, 23, 2235-2237. [all data]

Lang (editor), 1963
Lang (editor), L., Absorption Spectra ih the Ultraviolet and Visible Region, 1963, 4, 365. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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