Compound Identification
SMILES
CCC(C)C(=O)O[C@H]1C[C@H]2[C@]3([C@@H](OC(C)=O)O[C@@H](OC(C)=O)C3=C1)[C@@H](C[C@H](C)[C@]2(C)CCC(=C)C=C)OC(=O)C1=CN=CC=C1
InChIKey
InChIKey=DWABDRFXVONEBY-OZFWOMEOSA-N
Formula
C35H45NO9
Mass
623.743
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
Tetracarboxylic acids and derivatives Naphthofurans Pyridinecarboxylic acids Fatty acid esters Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Naphthofuran - Tetracarboxylic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Fatty acid ester - Pyridine - Fatty acyl - Tetrahydrofuran - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Acetal - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen 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