Compound Identification
SMILES
COC(=O)C(C)=C1C=C2C(C[C@@](C)(C(=O)OC)C3=CC4C(C)[C@H]5C[C@H]5[C@]4(C)C(=O)C3=O)[C@H]3C[C@H]3[C@]2(C)C(=O)C1=O
InChIKey
InChIKey=XGQDKQFVMVXIIX-RLRYBVMCSA-N
Formula
C32H36O8
Mass
548.632
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Fatty acid esters Cyclohexenones Dicarboxylic acids and derivatives Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bisabolane sesquiterpenoid - Sesquiterpenoid - Cyclohexenone - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available