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
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 1-hydroxy-2-unsubstituted benzenoids 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 - 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