Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](C)[C@H]1OC(C)(C)O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@@H]5OC(C)(C)O[C@@H]5C[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=LQQTZAVRPGVREB-QJQJZRDISA-N

Formula

C34H56O6

Mass

560.816

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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 - Ketal - Oxepane - Meta-dioxolane - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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