Compound Identification
SMILES
CC(C1C(Br)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C1CCC(C)CN1C#N
InChIKey
InChIKey=OXEZESWCAIDKNU-UHFFFAOYSA-N
Formula
C30H45BrN2O2
Mass
545.606
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
Steroid esters Pregnane steroids Halogenated steroids Delta-5-steroids Piperidines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
22,26-epiminocholestane skeleton - Pregnane-skeleton - Steroid ester - Halo-steroid - 16-halo-steroid - Delta-5-steroid - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - 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