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Structure Information
Structure

Compound Identification

SMILES

C[C@H](COc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(=O)N1CCOCC1

InChIKey

InChIKey=TXIATQUJSWMSID-PZCGZSAMSA-N

Formula

C36H49F6NO6

Mass

705.779

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dihydroxy bile acid, alcohol, or derivatives - Hydroxysteroid - 5-hydroxysteroid - 6-hydroxysteroid - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Secondary alcohol - 1,2-diol - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

External Descriptors

Not available

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