Structure Information
Structure

Compound Identification

SMILES

C[C@@]12C3[C@H](C(=O)OCC(=O)C4=CC=C(Br)C=C4)[C@@]45CC(=C)[C@@](F)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2F

InChIKey

InChIKey=MRWNEVGIOPMPTE-OXJNOULFSA-N

Formula

C27H25BrF2O5

Mass

547.393

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Not available

Direct Parent

Diterpene lactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diterpenoid - Diterpene lactone - 20-norgibberellane diterpenoid - Gibberellin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Halobenzene - Alpha-acyloxy ketone - Bromobenzene - Aryl bromide - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organobromide - Organofluoride - Alkyl fluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

External Descriptors

Not available

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