Compound Identification
SMILES
CC(=O)OC[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)[C@@H]1O[C@@H](O)[C@H]2O1
InChIKey
InChIKey=KIMFLFYOUFXUAC-XLOUWHCTSA-N
Formula
C17H20O7
Mass
336.34
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
Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Enoate esters 1,3-dioxolanes Hemiacetals Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Hemiacetal - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - 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