Compound Identification
SMILES
CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(C=O)C3COCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1=COC(=O)C=C1
InChIKey
InChIKey=AODGRRRNTYOAGZ-UHFFFAOYSA-N
Formula
C32H44O13
Mass
636.691
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
Sugar acids and derivatives Pyranones and derivatives Beta hydroxy acids and derivatives Fatty acid esters Monosaccharides Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-hydroxy acid - Fatty acid ester - Oxepane - Pyranone - Sugar acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Pyran - Fatty acyl - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Carbonyl group - Alcohol - Organic oxide - Aldehyde - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic 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