Structure Database (LMSD)
Common Name
Delta7-Avenasterol
Systematic Name
24Z-ethylidene-cholest-7-en-3β-ol
Synonyms
3D model of Delta7-Avenasterol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Δ7-Avenasterol is a phytosterol that has been found in a variety of plant oils and grains, including olive and soybean oils and wheat, oats, and rye, and has antioxidant activities.1,2 It reduces temperature-induced oxidation of safflower oil.3
This information has been provided by Cayman Chemical
References
1. Yorulmaz, H.O., and Konuskan, D.B. Antioxidant activity, sterol and fatty acid compositions of turkish olive oils as an indicator of variety and ripening degree. J. Food Sci. Technol. 54(12), 4067-4077 (2017).
2. Dutta, P.C., and Appelqvist, L.Å. Saturated sterols (stanols) in unhydrogenated and hydrogenated edible vegetable oils and in cereal lipids. J. Sci. Fd. Agric. 71(3), 383-391 (1996).
3. Sims, R.J., Fioriti, J.A., and Kanuk, M.J. Sterol additives as polymerization inhibitors for frying oils. J. Am. Oil Chem. Soc. 49, 298-301 (1972).
References
String Representations
InChiKey (Click to copy)
MCWVPSBQQXUCTB-OQTIOYDCSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILES (Click to copy)
C12=CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@]([H])(C)CC/C(=C/C)/C(C)C)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
464.33
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.23
Molar Refractivity
128.70
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Created at
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Updated at
16th Jan 2024