Compound Identification
SMILES
[H]\C(C[C@]1(C)[C@@]([H])(C)C[C@]([H])(OC(=O)C2=CC=CC=C2)[C@]23C(=C[C@@]([H])(O)C[C@]12[H])[C@@]([H])(OC(C)=O)O[C@]3([H])OC(C)=O)=C(\C)C=C
InChIKey
InChIKey=VGCCUPIWJIILLU-HACPLIHYSA-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 Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Naphthofuran - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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