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](F)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=GPUJJKZVXQSUTH-IDNJVEFASA-N

Formula

C29H49FO4

Mass

480.705

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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 - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - 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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