Compound Identification
SMILES
CC(C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C1CCC(C)CN1
InChIKey
InChIKey=IUVFSXZZSXORJP-UHFFFAOYSA-N
Formula
C29H47NO3
Mass
457.699
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
-
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
Steroid esters Pregnane steroids 16-hydroxysteroids Delta-5-steroids Piperidines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
22,26-epiminocholestane skeleton - Pregnane-skeleton - Steroid ester - Hydroxysteroid - 16-hydroxysteroid - Delta-5-steroid - Piperidine - Cyclic alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen 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