Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)OC(C(C)C1C(O)C(OC(C)=O)C2C3CCC4CC(OS(O)(=O)=O)C(CC4(C)C3CCC12C)OS(O)(=O)=O)C(OC(=O)CCC)C(CC)C(C)C

InChIKey

InChIKey=QZCHAQYTIIGVHJ-UHFFFAOYSA-N

Formula

C39H66O15S2

Mass

839.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Stigmastanes and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Stigmastanes and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

C24-propyl-sterol-skeleton - Triterpenoid - Stigmastane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Sulfated steroid skeleton - Steroid ester - Hydroxysteroid - 16-hydroxysteroid - Tricarboxylic acid or derivatives - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.

External Descriptors

Not available

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