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Structure Information
Structure

Compound Identification

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4C(C)(CCNC(=O)C4(Cl)Cl)C3CCC12C

InChIKey

InChIKey=AVSOTNHUPPRNJK-UHFFFAOYSA-N

Formula

C27H45Cl2NO

Mass

470.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroidal alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

Samamine-type alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Samamine skeleton - Azasteroid - Sesquiterpenoid - Alkaloid or derivatives - Caprolactam - Azepane - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl chloride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as samamine-type alkaloids. These are alkaloids with a structure that is based on the samamine skeleton, a tetracyclic compound consisting of and azepane ring fuse a saturated cyclopenta[a]naphthalene derivative.

External Descriptors

Not available

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