Compound Identification
SMILES
CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)SC(=O)C1=CC=CC=C1
InChIKey
InChIKey=DVTUTZSCGRMGRB-UHFFFAOYSA-N
Formula
C28H40O2S
Mass
440.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Pregnane 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
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Pregnane steroids
Alternative Parents
Hydroxysteroids Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Thioesters Secondary alcohols Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pregnane-skeleton - 20-hydroxysteroid - Hydroxysteroid - Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available