Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C(=O)C=CC2=CC[C@@H]3[C@@H]([C@@]3(C)C(=O)OCC(=O)C3=CC=C(Br)C=C3)[C@@]12C

InChIKey

InChIKey=PRERMFVQNIYLBB-NCEGDZEGSA-N

Formula

C23H23BrO4

Mass

443.337

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aristolane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Aristolane sesquiterpenoid - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Bromobenzene - Cyclohexenone - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Ketone - Cyclic ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aristolane sesquiterpenoids. These are sesquiterpenoids with a structure based on the aristolane skeleton. Aristolanes arise from the C6,C11 cyclization of the bicyclic eremophilane skeleton.

External Descriptors

Not available

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