Compound Identification
SMILES
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
InChIKey
InChIKey=RNWHJFUXZQBBLK-UHFFFAOYSA-N
Formula
C20H32O3
Mass
320.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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 Cyclohexenones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - Carbocyclic fatty acid - Medium-chain fatty acid - Branched fatty acid - Cyclohexenone - Methyl-branched fatty acid - Fatty acyl - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - 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