Structure Information
Structure

Compound Identification

SMILES

COC1C(O)C(O)COC1OC1C(O)C(O)COC1OCC[C@@H](CCC(C)[C@H]1C[C@@H](O)C2[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)[C@H](O)C3[C@H](C[C@@]21O)OS([O-])(=O)=O)C(C)C

InChIKey

InChIKey=PKGPPUFPTMQBKM-KUYFYACSSA-M

Formula

C40H69O17S

Mass

854.04

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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 heteropolycyclic compounds

Substituents

Stigmastane-skeleton - Triterpenoid - Sulfated steroid skeleton - 3-hydroxysteroid - 4-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Sulfuric acid ester - Oxane - Tertiary alcohol - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Polyol - Dialkyl ether - Ether - Acetal - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic anion - Aliphatic heteropolycyclic 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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