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Structure Information
Structure

Compound Identification

SMILES

[H][C@](C)([C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4=C(O)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]1([H])NC[C@@]([H])(C)C[C@]1([H])O

InChIKey

InChIKey=KKBXQLZWMCRLTO-DGDRLUPGSA-N

Formula

C27H43NO3

Mass

429.645

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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

22,26-epiminocholestanes

Direct Parent

3-oxo-22,26-epiminocholestanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

3-oxo-22,26-epiminocholestane skeleton - 23-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - 4-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Piperidine - 1,2-aminoalcohol - Cyclic ketone - Secondary alcohol - Ketone - Secondary aliphatic amine - Enol - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organopnictogen compound - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-oxo-22,26-epiminocholestanes. These are 22,26-epiminocholestane derivatives carrying C=O group at the 3-position.

External Descriptors

Not available

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