Compound Identification
SMILES
CCCCC1CC(C(C2OC2CCCCCCCC(=O)OCC)C2OC12)C(=O)OCC.CCCCC1C2OC2C(CC1C(=O)OCC)C1OC1CCCCCCCC(=O)OCC
InChIKey
InChIKey=BBWKZLYLPVKSPC-UHFFFAOYSA-N
Formula
C50H84O12
Mass
877.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Fatty acid esters Epoxy fatty acids Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Epoxy fatty acid - Fatty acid ester - Oxepane - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available