Structure Information
Structure

Compound Identification

SMILES

Br.C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]3(C)[C@@H]12

InChIKey

InChIKey=PPEMMFKVVCNBIW-VSLCWLCYSA-N

Formula

C27H44BrNO2

Mass

494.558

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Vitamin D and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Vitamin D and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpenoid - Solanidane skeleton - Cholesterol - Steroidal alkaloid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Azasteroid - Alkaloid or derivatives - Indolizidine - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

External Descriptors

Not available

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