Compound Identification
SMILES
CC(=O)OCC12CC3(C)CCC1CC1=C(C)C(=O)CC231
InChIKey
InChIKey=LKKFEFZTMYWHMY-UHFFFAOYSA-N
Formula
C17H22O3
Mass
274.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Rotundane sesquiterpenoids
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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
Rotundane sesquiterpenoids
Alternative Parents
Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Rotundane sesquiterpenoid - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 rotundane sesquiterpenoids. These are sesquiterpenoids with a structure based on the rotundane skeleton, which arise by a C10-C12 cyclization of bicyclic guaiane skeleton.
External Descriptors
Not available