Compound Identification
SMILES
Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.CC(C1C(O)CC2C3CCC4CC(N)CCC4(C)C3CCC12C)C1=NCC(C)CC1
InChIKey
InChIKey=OTVVZRRFHCUCGK-UHFFFAOYSA-N
Formula
C33H49N5O8
Mass
643.782
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
Steroidal alkaloids
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Level 5
22,26-epiminocholestanes
- Level 6 3-amino-22,26-epiminocholestanes
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Level 5
22,26-epiminocholestanes
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Subclass
Steroidal alkaloids
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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
Steroidal alkaloids
Intermediate Tree Nodes
22,26-epiminocholestanes
Direct Parent
3-amino-22,26-epiminocholestanes
Alternative Parents
Pregnane steroids Pregnane-type alkaloids 16-hydroxysteroids Azasteroids and derivatives Nitrophenols Nitrobenzenes Alkaloids and derivatives Nitroaromatic compounds Tetrahydropyridines Ketimines Cyclic alcohols and derivatives Secondary alcohols Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-amino-22,26-epiminocholestane skeleton - Pregnane-skeleton - Pregnane-type alkaloid - Hydroxysteroid - 16-hydroxysteroid - Azasteroid - Nitrophenol - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Phenol - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Cyclic alcohol - Ketimine - Organic nitro compound - Secondary alcohol - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Primary aliphatic amine - Alcohol - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-amino-22,26-epiminocholestanes. These are 22,26-epicholestane derivatives carrying an amino group at the 3-position.
External Descriptors
Not available