Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCCC(=O)O[C@@]1([C@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)C([O-])C[C@]12C)C(=O)COP(O)(O)=O

InChIKey

InChIKey=NOTYPXXHGFRVKH-CMNQNAFLSA-N

Formula

C27H36F2NaO9P

Mass

596.536

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Progestogin-skeleton - 20-oxosteroid - Steroid ester - 9-halo-steroid - 6-halo-steroid - Halo-steroid - 3-oxo-delta-1,4-steroid - Oxosteroid - 3-oxosteroid - Delta-1,4-steroid - O-acylglycerone-phosphate - Glycerone phosphate - Monoalkyl phosphate - Alpha-acyloxy ketone - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl fluoride - Organic oxide - Organic salt - Organic sodium salt - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkoxide - Organofluoride - Carbonyl group - Alkyl halide - Organic cation - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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