Compound Identification
SMILES
[Na+].[Na+].CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)C(O)CC[C@@]2(C)C1CC[C@@]1(C)C3CC4=C(OS([O-])(=O)=O)C=CC(OS([O-])(=O)=O)=C4[C@@]3(C)CCC21
InChIKey
InChIKey=UAOVOUOOBRYZNV-FAJGZASQSA-L
Formula
C36H52Na2O9S2
Mass
738.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
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
Sesquiterpenoids Fluorenes Arylsulfates Indanes Sulfuric acid monoesters Secondary alcohols Cyclic alcohols and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Steroid - Sesquiterpenoid - Cyclofarsesane sesquiterpenoid - Fluorene - Arylsulfate - Indane - 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