Compound Identification
SMILES
COC(=O)C1(CC[C@]2(C)C[C@H]3CCC(=C)[C@H]3[C@H]12)C(=O)OC
InChIKey
InChIKey=YOSBTMFIQYJHPO-NFFDBFGFSA-N
Formula
C17H24O4
Mass
292.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Linear triquinanes
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Level 5
Triquinane sesquiterpenoids
-
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
Triquinane sesquiterpenoids - Linear triquinanes
Direct Parent
Capnellane and isocapnellane sesquiterpenoids
Alternative Parents
Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Capnellane sesquiterpenoid - Dicarboxylic acid or derivatives - Methyl ester - 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 capnellane and isocapnellane sesquiterpenoids. These are sesquiterpenes with a structure characterized by the presence of a tricyclo[6.3.0.0^2,6]undecane ring system, which is also found in the hirsutane group. However, capnellanes carry two methyl groups at the 3-position.
External Descriptors
Not available