Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@](O)(C[C@H]23)C14

InChIKey

InChIKey=AIQHURFKXYCRCF-DFKOQAFRSA-N

Formula

C21H33NO4

Mass

363.498

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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

Aconitane-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Polyol - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

External Descriptors

CHEBI:3412 : diterpenoid

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