Compound Identification
SMILES
CCC(C)=CC(=O)OC1C(O)C(CC2(C)C(C)CC(O)CC12)C(C)=C
InChIKey
InChIKey=KLNGKMLEONBTFG-UHFFFAOYSA-N
Formula
C21H34O4
Mass
350.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- 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
Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Alternative Parents
Fatty acid esters Enoate esters Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Eremophilane sesquiterpenoid - Fatty acid ester - Fatty acyl - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.
External Descriptors
Not available