Compound Identification
SMILES
COC1=CC2=C(C=C1)C1CCC3(C)C(CCC3(O)C#CCl)C1CC2
InChIKey
InChIKey=JABONLHKIKMUIS-UHFFFAOYSA-N
Formula
C21H25ClO2
Mass
344.88
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
17-hydroxysteroids Phenanthrenes and derivatives Tetralins Anisoles Alkyl aryl ethers Ynones Tertiary alcohols Cyclic alcohols and derivatives Haloacetylenes and derivatives Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Anisole - Alkyl aryl ether - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Haloacetylene or derivatives - Ether - Organohalogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organooxygen compound - Aromatic homopolycyclic 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