Compound Identification
SMILES
COC1(OCC(O)C(O)C1O)[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C)\C=C\[C@H](CO)C(C)C)[C@@H](O)[C@H](OS(O)(=O)=O)C4[C@]3(O)C[C@@H](O)C2=C1
InChIKey
InChIKey=QRDMDDKDOFMKJY-LOYMJUQASA-N
Formula
C34H56O13S
Mass
704.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Ergostane 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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergostane steroids
Alternative Parents
16-beta-hydroxysteroids 6-hydroxysteroids Delta-4-steroids Sulfated steroids Ketals Sulfuric acid monoesters Oxanes Monosaccharides Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ergostane-skeleton - 25-hydroxysteroid - Sulfated steroid skeleton - 6-hydroxysteroid - Hydroxysteroid - 16-beta-hydroxysteroid - 16-hydroxysteroid - Delta-4-steroid - Ketal - Sulfuric acid ester - Monosaccharide - Oxane - Alkyl sulfate - Sulfuric acid monoester - Sulfate-ester - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergostane steroids. These are steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position.
External Descriptors
Not available