Compound Identification
SMILES
CC(C1C(CC2C3CCC4CC(N)CCC4(C)C3CCC12C)OC(C)=O)C1=NCC(C)CC1
InChIKey
InChIKey=VUHYGQHWIMSBRB-UHFFFAOYSA-N
Formula
C29H48N2O2
Mass
456.715
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
Steroid esters Pregnane steroids Pregnane-type alkaloids Azasteroids and derivatives Alkaloids and derivatives Tetrahydropyridines Amino acids and derivatives Ketimines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
3-amino-22,26-epiminocholestane skeleton - Steroid ester - Pregnane-skeleton - Pregnane-type alkaloid - Azasteroid - Alkaloid or derivatives - Tetrahydropyridine - Hydropyridine - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Amine - Imine - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Primary amine - Aliphatic 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