Structure Information
Structure

Compound Identification

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCN(C)C1=CC2=C(C=C1)C(C1=CC(OCC3=CC=CC=N3)=C(C=C1)N(CC(O)=O)CC(O)=O)=C1C=CC(=O)C=C1O2

InChIKey

InChIKey=WQVMAGJJUDIILT-BGFSYXJPSA-N

Formula

C60H74N4O9

Mass

995.271

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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

Cholesterols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cholesterol - Delta-5-steroid - Xanthene - Dibenzopyran - 1-benzopyran - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Cyclic ketone - Amino acid or derivatives - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.

External Descriptors

Not available

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