Compound Identification
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1=NC[C@H](C)CC1=O
InChIKey
InChIKey=PFDDAGIZOOZFQC-WJWQRCBCSA-N
Formula
C27H43NO2
Mass
413.646
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
- 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
Not available
Direct Parent
22,26-epiminocholestanes
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives 3-beta-hydroxysteroids Tetrahydropyridines Secondary alcohols Ketimines Cyclic ketones Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
22,26-epiminocholestane skeleton - Progestogin-skeleton - Pregnane-skeleton - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Tetrahydropyridine - Hydropyridine - Cyclic alcohol - Ketimine - Ketone - Secondary alcohol - Cyclic ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 22,26-epiminocholestanes. These are steroid alkaloids obtained by reduction of spirosolane through opening of the E-ring.
External Descriptors
Not available