Compound Identification
SMILES
CC1CCC23C(OC(C)=O)OC(OC(C)=O)C2=CC(CC3C1(C)C\C=C(/C)C=C)OC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=RKOVIXOSRVSKPI-LDADJPATSA-N
Formula
C31H38O8
Mass
538.637
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
Naphthofurans p-Hydroxybenzoic acid alkyl esters Tricarboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Naphthofuran - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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