Structure Information
Structure

Compound Identification

SMILES

CC(C)C(O)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(CC4(C)C3CCC12C)OC(=O)C=Cc1ccccc1

InChIKey

InChIKey=PKJZKRZLTGYWSS-UHFFFAOYSA-N

Formula

C36H50O9

Mass

626.787

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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

Not available

Direct Parent

Hydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Hexahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - Steroid ester - 5-hydroxysteroid - Hydroxysteroid - 3-hydroxy-delta-7-steroid - 14-hydroxysteroid - 3-hydroxysteroid - Oxosteroid - 6-oxosteroid - Delta-7-steroid - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Enoate ester - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.

External Descriptors

Not available

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