Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)OCC[C@]12[C@H](I)[C@H]3[C@H]4C[C@@H]5[C@@H]([C@H](I)[C@H]1[C@@H]35)[C@H]24

InChIKey

InChIKey=KTJQNBGHXAEKPY-WFUPWENPSA-N

Formula

C13H15I2NO3

Mass

487.076

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Triquinane sesquiterpenoids

Direct Parent

Linear triquinanes

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Linear triquinane sesquiterpenoid - Alkyl nitrate - Organic nitrate - Organic nitro compound - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] undecane carbon skeleton.

External Descriptors

Not available

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