Compound Identification
SMILES
CC(C1C(O)CC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C1NCC(C)CC1O
InChIKey
InChIKey=YBHAOIJMWCSCFU-UHFFFAOYSA-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
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Level 5
22,26-epiminocholestanes
- Level 6 3-oxo-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
-
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-oxo-22,26-epiminocholestanes
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives 3-oxosteroids 16-hydroxysteroids Piperidines Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
3-oxo-22,26-epiminocholestane skeleton - 23-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 16-hydroxysteroid - Piperidine - Cyclic alcohol - Secondary alcohol - Cyclic ketone - 1,2-aminoalcohol - Ketone - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo-22,26-epiminocholestanes. These are 22,26-epiminocholestane derivatives carrying C=O group at the 3-position.
External Descriptors
Not available