Structure Information
Structure

Compound Identification

SMILES

CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]34CO[C@]21C[C@@H](O)[C@@]3(O)C[C@H](CC4)OS(O)(=O)=O

InChIKey

InChIKey=QPVBWEUWNJWRLD-XPVUCKRVSA-N

Formula

C27H44O7S

Mass

512.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Steroids and steroid derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cholane-skeleton - Oxepane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Tetrahydrofuran - Tertiary alcohol - 1,2-diol - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.

External Descriptors

CHEBI:68594 : steroid sulfate - diol - bridged compound - cyclic ether - 5alpha-hydroxy steroid - 6beta-hydroxy steroid

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