Compound Identification
SMILES
[H][C@](C)([C@@]1([H])[C@]([H])(O)C[C@]2([H])[C@]3([H])CC[C@]4([H])C(=O)[C@@]([H])(O)CC[C@]4(C)[C@]3([H])CC[C@]12C)[C@]1([H])NC[C@@]([H])(C)C[C@@]1([H])O
InChIKey
InChIKey=PTLHVDMORFDUBF-AMDJQESESA-N
Formula
C27H45NO4
Mass
447.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroidal alkaloids
- Level 5 22,26-epiminocholestanes
-
Subclass
Steroidal alkaloids
-
Class
Steroids and steroid derivatives
-
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 Oxosteroids 3-beta-hydroxysteroids 16-alpha-hydroxysteroids Piperidines Secondary alcohols Ketones Cyclic alcohols and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
22,26-epiminocholestane skeleton - 23-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 4-oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 3-beta-hydroxysteroid - Piperidine - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - 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