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Structure Information
Structure

Compound Identification

SMILES

CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C=C[C@H](NC(=O)C5=CC=CC=C5)C4(C)C)=CC3=CC[C@]12C

InChIKey

InChIKey=RBGUJYKSIPPLGB-HOMJOGDVSA-N

Formula

C32H44N2O

Mass

472.717

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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

Buxus alkaloids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as buxus alkaloids. These are alkaloids with a triterpenoid-steroid pregnane type structure with C-4 methyl groups, a 9beta,10beta-cycloartenol system, and a degraded C-20 side chain. Structurally, they are derivatives of either a 9beta,10beta-cyclo-4,4,14alpha-trimethyl-5alpha-pregnane or a 9(10->19)abeo 4,4,14alpha-trimethyl-5alpha-pregnane system.

External Descriptors

Not available

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