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
- IUPAC Standard InChIKey: XJHDMGJURBVLLE-BOCCBSBMSA-N
- 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:
- 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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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -590.9 ± 2.3 | kJ/mol | Ccb | Cocker, McMurry, et al., 1964 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -7884.3 ± 2.3 | kJ/mol | Ccb | Cocker, McMurry, et al., 1964 | Corresponding ΔfHºsolid = -590.78 kJ/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Condensed phase thermochemistry data, Notes
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]
Notes
Go To: Top, Condensed phase thermochemistry data, 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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