Compound Identification
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.COC1=CC2=C(C=C1)C1=C(C=C2)C2=CCCC2(C)CC1=O
InChIKey
InChIKey=IUGSHROUMQUBOU-UHFFFAOYSA-N
Formula
C25H21N3O9
Mass
507.455
Taxonomic Classification
Taxonomy Tree
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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 11-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
11-oxosteroids
Alternative Parents
Delta-7-steroids Phenanthrenes and derivatives Tetralins Nitrophenols Naphthalenes Nitrobenzenes Anisoles Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Not available
Substituents
11-oxosteroid - Delta-7-steroid - Phenanthrene - Naphthalene - Nitrophenol - Tetralin - Nitrobenzene - Anisole - Nitroaromatic compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ketone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 11-oxosteroids. These are steroid derivatives carrying a C=O group at the 11-position of the steroid skeleton.
External Descriptors
Not available