Compound Identification
SMILES
CCCC(=O)O[C@H]1[C@H]2[C@@H]3C\C(C)=C/CC(OC(=O)CCC)[C@]4(C)OC[C@H](C)[C@H](C[C@H]1C)[C@@H]2[C@@H]4O3
InChIKey
InChIKey=CCQWAVHYCCPOEQ-CCRBKCMOSA-N
Formula
C28H44O6
Mass
476.654
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
Fatty acid esters Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Fatty acid ester - Oxepane - Dicarboxylic acid or derivatives - Fatty acyl - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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
LIPIDMAPS (LMPR0104210004) : Eunicellane and asbestinane diterpenoids