Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@H]2[C@]33C1N(CC)C[C@]2(COC(=O)C1=CC=CC=C1NC(=O)[C@@H](C)CC(N)=O)CC[C@@H]3OC

InChIKey

InChIKey=AZHOXLAQVUZTSD-IHNDNOTPSA-N

Formula

C41H59N3O11

Mass

769.933

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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

Aromatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - Quinolidine - Benzoate ester - Alkaloid or derivatives - Anilide - Benzoic acid or derivatives - N-arylamide - Benzoyl - Fatty acid ester - Azepane - Fatty acyl - Benzenoid - Piperidine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous amide - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - 1,2-diol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic 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

Not available

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