Compound Identification
SMILES
COC1=C(C)C(=O)C(C)=C(O1)[C@]1(C)[C@@H](C)[C@@]2(C)[C@@H]3O[C@]3(C)[C@@H]3O[C@]3(C)[C@@H]12
InChIKey
InChIKey=NTKGUTHHGBIWPA-BXVPTXNTSA-N
Formula
C21H28O5
Mass
360.45
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
Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Oxepane - Pyranone - Pyran - Heteroaromatic compound - Vinylogous ester - Cyclic ketone - Ether - Oxirane - Dialkyl ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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