Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1=CC=C(COC(=O)C2=C(OCC3=CC=C(CC(=O)OC)C=C3)C(Cl)=CC(=C2)C(=CCC[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]34)C2)C2=CC(C(=O)OCC3=CC=C(CC(=O)OC)C=C3)=C(OCC3=CC=C(CC(=O)OC)C=C3)C(Cl)=C2)C=C1

InChIKey

InChIKey=UKECSNBRBIHHQM-QANUPPILSA-N

Formula

C85H100Cl2O14

Mass

1416.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholestane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Cholestane-skeleton - Hexacarboxylic acid or derivatives - Diphenylmethane - Benzoate ester - Benzyloxycarbonyl - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organochloride - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.

External Descriptors

Not available

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