Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@]3([H])[C@]([H])(C1=O)[C@]([H])(C[C@]2([H])OC)[C@@]1([H])C[C@]2([H])[C@@]4([H])CC[C@]([H])(OC)[C@@]32[C@]1([H])N(CC)C4

InChIKey

InChIKey=CWTDIQWAPGCRFL-SMTBQDLLSA-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

Not available

Direct Parent

Lappaconitine-type diterpenoid alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Lappaconitine-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lappaconitine-type diterpenoid alkaloids. These are c18-bisnorditerpenoid alkaloids with a structure based on the heptacyclic lappaconitine skeleton. Lappaconitine similar to aconitane, with the difference that the former lacks a carbon atom at the 18-position.

External Descriptors

Not available

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