Structure Information
Structure

Compound Identification

SMILES

[Br-].CC[N+](C)(C)CCN1C(=O)C2C(C1=O)C13CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(O)=O)[C@H]1CC2C(=C3)C(C)C

InChIKey

InChIKey=SSMKSZJPKKFJBD-VCRSHOFFSA-N

Formula

C30H47BrN2O4

Mass

579.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Villanovane, atisane, trachylobane or helvifulvane diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Atisane diterpenoid - Isoindolone - Isoindoline - Isoindole or derivatives - Alkaloid or derivatives - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organic bromide salt - Organooxygen compound - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

External Descriptors

Not available

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