Compound Identification
SMILES
C[C@]12CCC3C(CC4OC[C@@]33CCC(=O)C=C43)C1CC[C@@H]2C(=O)CO
InChIKey
InChIKey=XYCHESQCFGZWJJ-VLEPJECISA-N
Formula
C21H28O4
Mass
344.451
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
Cyclohexenones Oxolanes Alpha-hydroxy ketones Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Oxepane - Alpha-hydroxy ketone - Oxolane - Ketone - Cyclic ketone - Dialkyl ether - Ether - Oxacycle - Organooxygen compound - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - 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