Structure Information
Structure

Compound Identification

SMILES

CCN1[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@@]3(C[C@@H]5OC)OC)[C@@H]2CC[C@@]4(C)[C@H]1O2

InChIKey

InChIKey=KCKWLTSMSXSQHY-SXSSEPDDSA-N

Formula

C25H37NO6

Mass

447.572

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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 - 1,3-oxazinane - Oxane - Oxazinane - Piperidine - Cyclic alcohol - Carboxylic acid ester - Hemiaminal - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen 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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