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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Condensed phase thermochemistry data
Go To: Top, Gas Chromatography, References, Notes
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) |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, References, Notes
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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 2117. | El-Shazily, Hafez, et al., 2004 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.