Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(O)C(=C)[C@@]2([H])CC(=O)[C@@]11CC[C@]3([H])[C@]4(C)CCC[C@]3(CN(CCO)C4)[C@]1([H])C2

InChIKey

InChIKey=CYKBPNPUBPPKTH-CNGUMKPASA-N

Formula

C22H33NO3

Mass

359.51

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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

Villanovane, atisane, trachylobane or helvifulvane diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Atisane diterpenoid - Alkaloid or derivatives - Piperidine - Cyclic alcohol - 1,2-aminoalcohol - Ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

External Descriptors

Not available

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