Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](CC5=CC=C(C=C5)C#N)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=SSPJILXUPFVYIF-CGFWSUEESA-N

Formula

C35H51NO

Mass

501.799

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholesterols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cholesterol-skeleton - 3-oxosteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Benzonitrile - Monocyclic benzene moiety - Benzenoid - Ketone - Cyclic ketone - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.

External Descriptors

Not available

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