Compound Identification
SMILES
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1C[C@H]1O[C@]11[C@H]3O[C@@]3(C(C)C)C(=O)C=C21
InChIKey
InChIKey=VBGRYGOLSRLUIX-WLUZTKGMSA-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
Cyclohexenones Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Oxepane - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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