Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1CCC2[C@@H]3CCC4C5=NN(N=C5CC[C@]4(C)C3CC[C@]12C)C1=CC=CC=C1

InChIKey

InChIKey=YVSJNEIDIPWBGB-BHDSGWCOSA-N

Formula

C27H35N3O

Mass

417.597

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Pregnane steroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

20-oxosteroid - Pregnane-skeleton - Oxosteroid - Phenyl-1,2,3-triazole - Phenyltriazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.

External Descriptors

Not available

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