Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3C(CCC4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=DSXQIXUWAMDIKX-YKGMHSGNSA-N

Formula

C24H34O7S

Mass

466.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Bufanolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Sulfated steroid skeleton - 14-hydroxysteroid - Hydroxysteroid - Pyranone - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

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