Structure Information
Structure

Compound Identification

SMILES

CCN1CC2CCC(OC)C34[C@@H]5C[C@@]6(O)C(OC(=O)C7=CC=CC=C7)[C@@H]5[C@](O)(C[C@@H]6OC)C(C[C@H]23)C14

InChIKey

InChIKey=HPXCSFGRIIAHER-QJAANGICSA-N

Formula

C29H39NO6

Mass

497.632

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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

Aromatic heteropolycyclic compounds

Substituents

Lappaconitine-type diterpenoid alkaloid - Quinolidine - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoyl - Azepane - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic 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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