Compound Identification
SMILES
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC(C)CC(O)=O)[C@H](C)CC[C@]12C
InChIKey
InChIKey=RGIHYDMQKFVDLN-ICDJAOLKSA-N
Formula
C21H34O4
Mass
350.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Colensane and clerodane diterpenoids
Alternative Parents
Carbocyclic fatty acids Medium-chain fatty acids Methyl-branched fatty acids Dicarboxylic acids and derivatives Methyl esters Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - Carbocyclic fatty acid - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available