Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](C)[C@@H](OC1OC(CO)C(O)C(O)C1O)[C@H](O)[C@@H](C)C1CCC2C3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C

InChIKey

InChIKey=ZGXCUMDOLQMEFX-MCFLZGITSA-N

Formula

C34H58O11

Mass

642.827

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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 - Diterpene glycoside - Steroidal glycoside - Diterpenoid - Diterpene lactone - Terpene glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Caprolactone - Oxepane - Oxane - Monosaccharide - Fatty acyl - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

Not available

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