Compound Identification
SMILES
[H][C@](C)([C@]1([H])[C@]([H])(O)C[C@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)[C@]1([H])CC[C@]([H])(C)CN1
InChIKey
InChIKey=PXQFHWPNHJMPKN-LUTKPCGNSA-N
Formula
C27H45NO3
Mass
431.661
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 3-beta-hydroxy delta-5-steroids 16-alpha-hydroxysteroids 12-hydroxysteroids Delta-5-steroids Piperidines Secondary alcohols Cyclic alcohols and derivatives Polyols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
22,26-epiminocholestane skeleton - Progestogin-skeleton - Pregnane-skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Delta-5-steroid - Piperidine - Cyclic alcohol - Secondary alcohol - Polyol - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - 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