Compound Identification
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCC(O)=O
InChIKey
InChIKey=BUEHHRJNLUZXDI-AYVLZSQQSA-N
Formula
C28H40O8
Mass
504.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- 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
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Medium-chain fatty acids Hydroxy fatty acids Alpha-acyloxy ketones Cyclohexenones Dicarboxylic acids and derivatives Alpha-hydroxy ketones Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Medium-chain fatty acid - Cyclohexenone - Alpha-acyloxy ketone - Hydroxy fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available