Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)[C@H](C[C@]35C)C#N)[C@@H]1CC[C@@H]2O
InChIKey
InChIKey=RLQVKDVIBJCQGE-MGLRGOIASA-N
Formula
C20H27NO3
Mass
329.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Estrane 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
Estrane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Estrane steroids
Alternative Parents
Oxepanes Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Nitriles Epoxides Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Estrane-skeleton - Oxepane - Cyclic alcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Oxirane - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors
Not available