Compound Identification
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)C(=O)CCCCCCC\C=C/C\C=C/CCCCC
InChIKey
InChIKey=UXMDSXHSQIPWKB-VBOJLMESSA-N
Formula
C57H104O6
Mass
885.453
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
-
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
Long-chain fatty alcohols Fatty alcohol esters Monosaccharides Dicarboxylic acids and derivatives Acyloins Alpha-hydroxy ketones Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Type 2 wax diester skeleton - Long chain fatty alcohol - Fatty alcohol ester - Fatty alcohol - Acyloin - Monosaccharide - Dicarboxylic acid or derivatives - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - 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