Compound Identification
SMILES
CCCC(=O)OC(C(C)C1C(O)C(OC(C)=O)C2C3CCC4CC(OS(O)(=O)=O)C(CC4(C)C3CCC12C)OS(O)(=O)=O)C(OC(=O)CCC)C(CC)C(C)C
InChIKey
InChIKey=QZCHAQYTIIGVHJ-UHFFFAOYSA-N
Formula
C39H66O15S2
Mass
839.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Stigmastanes and derivatives
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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
Stigmastanes and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Stigmastanes and derivatives
Alternative Parents
Triterpenoids C24-propyl sterols and derivatives Monohydroxy bile acids, alcohols and derivatives Steroid esters 16-hydroxysteroids Sulfated steroids Tricarboxylic acids and derivatives Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
C24-propyl-sterol-skeleton - Triterpenoid - Stigmastane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Sulfated steroid skeleton - Steroid ester - Hydroxysteroid - 16-hydroxysteroid - Tricarboxylic acid or derivatives - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.
External Descriptors
Not available