Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=QBEKIYKXLDMPBH-XXLUQQGRSA-N

Formula

C29H49N3O4

Mass

503.728

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Brassinolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Brassinolide-skeleton - Caprolactone - Oxepane - 1,2-diol - Azo compound - Azo imide - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one.

External Descriptors

Not available

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