Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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