Structure Information
Structure

Compound Identification

SMILES

[2H]C1([2H])OC(=O)[C@@]2([2H])C[C@H](O)[C@H](O)C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C

InChIKey

InChIKey=IXVMHGVQKLDRKH-SQFBIJDLSA-N

Formula

C28H48O6

Mass

483.704

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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 - Cyclic alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - 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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