Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2C(=O)OC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=JGBGUXLJDIRFRG-BJUNLWNUSA-N

Formula

C49H80O7

Mass

781.172

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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

Aromatic heteropolycyclic compounds

Substituents

Brassinolide-skeleton - Benzylether - Caprolactone - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Lactone - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic 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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