Compound Identification
SMILES
[H]C12CCC3([H])[C@@](C)(O)OCC13C[C@@]([H])(O)C1([H])C2([H])CCC2=CC(=O)C=C[C@]12C
InChIKey
InChIKey=XVJVYYOTHOAHCB-VAAAFYKXSA-N
Formula
C21H28O4
Mass
344.451
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Oxosteroids
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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
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
Oxosteroids
Alternative Parents
3-oxosteroids 11-alpha-hydroxysteroids Tetrahydrofurans Secondary alcohols Hemiacetals Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
20-hydroxysteroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Cyclic alcohol - Tetrahydrofuran - Hemiacetal - Ketone - Secondary alcohol - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
External Descriptors
Not available