Structure Information
Structure

Compound Identification

SMILES

CC=C(C)C(=O)NC1CCC2=CC3=CCC4(C)C(C(C)N(C)C)C(CC4(C)C3CCC2C1(C)CO)OC(C)=O

InChIKey

InChIKey=BRGSDABMUAIXHJ-UHFFFAOYSA-N

Formula

C33H52N2O4

Mass

540.789

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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

Aliphatic homopolycyclic compounds

Substituents

Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic 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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