Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C[C@H]3[C@@H]4CC[C@H](C(=O)COC(C)=O)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1)C#N

InChIKey

InChIKey=QZXOUVMEOXJWJQ-LEWRIBAMSA-N

Formula

C25H31NO5

Mass

425.525

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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 homopolycyclic compounds

Substituents

Polycyclic triterpenoid - Triterpenoid - 20-oxosteroid - Androstane-skeleton - Oxosteroid - 11-oxosteroid - Alpha-acyloxy ketone - Monosaccharide - Ketone - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic homopolycyclic 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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