Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)CC[C@@H](OC(=O)C1=CC=CC=C1)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=MHUAZWAOQZCJEZ-CUAGIWPASA-N

Formula

C37H52O8

Mass

624.815

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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

Trihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cholesterol - Cholestane-skeleton - Ecdysteroid - 25-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 20-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - Delta-7-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Ketal - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.

External Descriptors

Not available

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