Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(O)C(=O)[C@@]2([H])C(C)(C)CCC[C@]2(C)[C@@](CCC2=COC=C2)(C#N)[C@@]1([H])C

InChIKey

InChIKey=HBLUOENKHKFXNX-HQPYQDFCSA-N

Formula

C21H29NO3

Mass

343.467

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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

19-norclerodane diterpenoid - Clerodane diterpenoid - Cyclic alcohol - Furan - Heteroaromatic compound - Ketone - Secondary alcohol - Organoheterocyclic compound - Nitrile - Carbonitrile - Oxacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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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