Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)C(O)CC[C@@]2(C)C1CC[C@@]1(C)C3CC4=C(O)C=CC(OS([O-])(=O)=O)=C4[C@@]3(C)CCC21

InChIKey

InChIKey=TZVUWWOTALFDIG-VQQBYZPNSA-M

Formula

C36H53NaO6S

Mass

636.86

Export to:

JSON SDF CSV

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

Aromatic homopolycyclic compounds

Substituents

Steroid - Sesquiterpenoid - Cyclofarsesane sesquiterpenoid - Fluorene - Arylsulfate - Indane - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid monoester - Benzenoid - Sulfuric acid ester - Sulfate-ester - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Organic sodium salt - Organic salt - Aromatic homopolycyclic 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

Not available

Previous Back Next