Structure Information
Structure

Compound Identification

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F

InChIKey

InChIKey=AWNCAUIWMWPQMB-WOEDLXMYSA-N

Formula

C28H33F4N3O4

Mass

551.583

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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

Aromatic homopolycyclic compounds

Substituents

Triterpenoid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 3-alpha-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Aryl azide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Cyclic alcohol - Organoazide - Secondary alcohol - Organic azide - Ketone - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic 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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