Structure Database (LMSD)
Common Name
alhpa-tocopheronolactone
Systematic Name
Synonyms
- Simon metabolite
No other lipid differing only in stereochemistry/bond geometry found
3D model of alhpa-tocopheronolactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AHKCSBSOCDKWLH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H22O4/c1-9-10(2)15(19)12(11(3)14(9)18)5-7-16(4)8-6-13(17)20-16/h18-19H,5-8H2,1-4H3
SMILES (Click to copy)
C1(CCC2(OC(=O)CC2)C)C(O)=C(C)C(C)=C(O)C=1C
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
2
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
274.34
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.34
Molar Refractivity
76.55
Admin
Created at
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Updated at
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