Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@]3(O)C[C@@]1([H])[C@](OC(C)=O)([C@]1([H])[C@@]([H])(OC)[C@]4([H])[C@@]22[C@@]1([H])N(CC)C[C@@]4(COC)[C@@]([H])(O)C[C@]2([H])OC)[C@]([H])(O)[C@@]3([H])OC

InChIKey

InChIKey=FFOJGFMBCYNURC-XVSUBGPISA-N

Formula

C27H43NO9

Mass

525.639

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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 - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Polyol - Azacycle - Organoheterocyclic compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - 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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