Structure Information
Structure

Compound Identification

SMILES

CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@H](C[C@H]23)[C@@H]14)OC(=O)C1=CC=CC=C1N

InChIKey

InChIKey=VSUODASNSRJNCP-VHALVFBVSA-N

Formula

C30H42N2O7

Mass

542.673

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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 - Aminobenzoic acid or derivatives - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Aniline or substituted anilines - Azepane - Monocyclic benzene moiety - Piperidine - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - 1,2-diol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - 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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