Compound Identification
SMILES
CC(C)CC(=O)OC1CCC2C(=O)C3=C(CC2(C)C1C)C(C)=CO3
InChIKey
InChIKey=QSECTAGZNRNMBK-UHFFFAOYSA-N
Formula
C20H28O4
Mass
332.44
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
Naphthofurans Benzofurans Aryl alkyl ketones Fatty acid esters Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Fatty acyl - Heteroaromatic compound - Furan - Ketone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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