Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OCCO)=C4[N+]([O-])=O)[C@@H]1CCC2=O
InChIKey
InChIKey=LHXXLCRYWVMSTM-NKSTXHLWSA-N
Formula
C20H25NO5
Mass
359.422
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-oxosteroids Phenanthrenes and derivatives Nitronaphthalenes Tetralins Nitroaromatic compounds Phenol ethers Alkyl aryl ethers Ketones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Primary alcohols Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - 1-nitronaphthalene - Tetralin - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic salt - Organic zwitterion - 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