Compound Identification
SMILES
[H]C12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(O)C(=O)CO2
InChIKey
InChIKey=PIVUIBWKOVQVES-KHLFCOJESA-N
Formula
C21H28O4
Mass
344.451
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Oxosteroids
- Level 5 20-oxosteroids
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Subclass
Oxosteroids
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Class
Steroids and steroid derivatives
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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
20-oxosteroids
Alternative Parents
3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Furanones Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - 3-furanone - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Cyclic ketone - Ketone - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
External Descriptors
Not available