Compound Identification
SMILES
OC([O-])=O.COC1=CC2=C(C=C1)C1CCC3(C)C(CCC3(O)C#C)C1CC2
InChIKey
InChIKey=PXKVSOHNMXMSSB-UHFFFAOYSA-M
Formula
C22H27O5
Mass
371.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Estrane steroids
-
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 Organic carbonic acids Cyclic alcohols and derivatives Acetylides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Anisole - Alkyl aryl ether - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Carbonic acid derivative - Carbonic acid - Ether - Acetylide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic anion - 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