Structure Information
Structure

Compound Identification

SMILES

CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC22CC(OC)C5CC3(O)C2C5OC(C)=O)C14

InChIKey

InChIKey=YRFHHBLWWCMRSY-UHFFFAOYSA-N

Formula

C28H41NO9

Mass

535.634

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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

Aliphatic heteropolycyclic compounds

Substituents

Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Dicarboxylic acid or derivatives - Piperidine - Meta-dioxolane - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Acetal - Dialkyl ether - Ether - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic 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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