Compound Identification
SMILES
CC(=O)OC1CCC2(C)C(CC(=O)C3=COC=C3)C(=C)CCC2C1(C)C(O)=O
InChIKey
InChIKey=VZIHDWNPKBLDMB-UHFFFAOYSA-N
Formula
C22H28O6
Mass
388.46
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
Aryl alkyl ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Aryl alkyl ketone - Aryl ketone - Dicarboxylic acid or derivatives - Furan - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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