Compound Identification
SMILES
CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC[C@@H](\C=C\[C@@H](C)[C@H]2C[C@@H](O)[C@@H]3[C@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)[C@H](O)[C@@H]4[C@H](C[C@@]32O)OS(O)(=O)=O)C(C)C)[C@H](OC)[C@H]1O
InChIKey
InChIKey=FGCJVPROALYRCQ-GKVURJMHSA-N
Formula
C40H68O17S
Mass
853.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Ergostane steroids
- Level 5 Ergosterols and derivatives
-
Subclass
Ergostane steroids
-
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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergosterols and derivatives
Alternative Parents
Steroidal glycosides 3-beta-hydroxysteroids Sulfated steroids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides O-glycosyl compounds Disaccharides Sulfuric acid monoesters Oxanes Alkyl sulfates Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergosterol-skeleton - Steroidal glycoside - Sulfated steroid skeleton - 3-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 4-hydroxysteroid - 3-beta-hydroxysteroid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Disaccharide - Sulfate-ester - Sulfuric acid monoester - Sulfuric acid ester - Fatty acyl - Oxane - Alkyl sulfate - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Primary alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.
External Descriptors
Not available