Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=IXVMHGVQKLDRKH-QHBHMFGVSA-N

Formula

C28H48O6

Mass

480.686

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

CHEBI:27722 : 3alpha-hydroxy steroid - 23-hydroxy steroid - 22-hydroxy steroid - brassinosteroid - 2alpha-hydroxy steroid
LIPIDMAPS (LMST01140002) : Brassinolides and derivatives
KEGG (C11049) : ergostane - Brassinolides and derivatives

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