Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(O)C(OC(=O)C5=CC(OC)=C(OC)C=C5)C1C4(CC3OC)OC(C)=O)C(CC2O)OC

InChIKey

InChIKey=YVPYMQHYESYLIR-UHFFFAOYSA-N

Formula

C36H51NO12

Mass

689.799

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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 - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolidine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Azepane - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Carboxylic acid ester - Tertiary amine - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - 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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