Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CO[C@@H]([C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)[C@H]1C

InChIKey

InChIKey=HHPPCGSBRMCORM-QTSUHJLRSA-N

Formula

C28H44O7

Mass

492.653

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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

Pentahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cholesterol-skeleton - Pentahydroxy bile acid, alcohol, or derivatives - Cholestane-skeleton - Ecdysteroid - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - 6-oxosteroid - 3-beta-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.

External Descriptors

Not available

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