Compound Identification
SMILES
[Na+].CC(C)C[C@@H]1O[C@H]1[C@@H](C)[C@H]1CCC2C3=CCC4[C@H](OS([O-])(=O)=O)[C@@H](OC(C)=O)[C@H](O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=PTSWDENZBQCZHA-VBMHFPRFSA-M
Formula
C29H45NaO8S
Mass
576.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cholestane steroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholestane steroids
Alternative Parents
Steroid esters 12-beta-hydroxysteroids Delta-7-steroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Cyclitols and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cholestane-skeleton - Sulfated steroid skeleton - Steroid ester - 12-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Delta-7-steroid - Cyclitol or derivatives - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic salt - Alcohol - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
External Descriptors
Not available