Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CCC4[C@H](OS(O)(=O)=O)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=IEADRGWOOOMUDZ-CZZLVXMFSA-N

Formula

C28H46O7S

Mass

526.73

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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

Aliphatic heteropolycyclic compounds

Substituents

Cholesterol-skeleton - Sulfated steroid skeleton - 12-beta-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-7-steroid - Delta-7-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclitol or derivatives - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic 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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