Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VCQSOHZQZRVUDN-OCWFKQDUSA-N

Formula

C51H62O18

Mass

963.039

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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

Bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Steroid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Phenoxy compound - Styrene - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

External Descriptors

Not available

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