Structure Information
Structure

Compound Identification

SMILES

CCC(=O)O[C@@]12CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5C(C)=O)[C@@H]4CC=C3C1C2(Cl)Cl

InChIKey

InChIKey=WTVVSLHZSFIKCT-QRNIADKLSA-N

Formula

C25H34Cl2O3

Mass

453.44

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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 - Pregnane-skeleton - Steroid ester - 20-oxosteroid - Oxosteroid - Delta-5-steroid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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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