Compound Identification
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1.COC(=O)C(CC1=CC=C(OCCN2C(=O)SC3=C2C=CC(=C3)C(=O)C2=CC=CC=C2)C=C1)C(=O)OC
InChIKey
InChIKey=LVZFIJLCVMDKAL-UHFFFAOYSA-N
Formula
C57H75NO9S
Mass
950.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Quinone and hydroquinone lipids
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Level 5
Vitamin E compounds
- Level 6 Tocopherols
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Level 5
Vitamin E compounds
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Subclass
Quinone and hydroquinone lipids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Quinone and hydroquinone lipids
Intermediate Tree Nodes
Vitamin E compounds
Direct Parent
Tocopherols
Alternative Parents
Diterpenoids Benzophenones Aryl-phenylketones 1-benzopyrans Benzothiazoles Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Phenols Fatty acid esters Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Thiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tocopherol - Diterpenoid - Benzophenone - Aryl-phenylketone - Chromane - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Phenol - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Heteroaromatic compound - Azole - Thiazole - Methyl ester - Ketone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.
External Descriptors
Not available