Compound Identification
SMILES
CCCCCCCCCCCCC(COC(=O)C(Br)CCCCCC\C=C\CCCCCCCCBr)OC(=O)C(Br)CCCCCC\C=C\CCCCCCCCBr
InChIKey
InChIKey=JIPTUNLCILLUKD-QHKWOANTSA-N
Formula
C50H90Br4O4
Mass
1074.882
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
-
Level 5
Wax esters
-
Level 6
Wax diesters
- Level 7 Type 2 wax diesters
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Level 6
Wax diesters
-
Level 5
Wax esters
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Wax esters - Wax diesters
Direct Parent
Type 2 wax diesters
Alternative Parents
Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Type 2 wax diester skeleton - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organic oxide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as type 2 wax diesters. These are waxes based on alkane-1,2-diols (usually C12-C23) esterified with C10-C20 acids at the two hydroxyl groups.
External Descriptors
Not available