Compound Identification
SMILES
C[C@@H](O)[C@@H]1N(C)C(=O)C(C(=O)[C@@]2(C)[C@@H](C)C=C[C@H]3C[C@@H](C)CC[C@H]23)C1=O
InChIKey
InChIKey=MQFIBLPYJVBNLZ-ALGQCLKLSA-N
Formula
C21H31NO4
Mass
361.482
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
1,3-dicarbonyl compounds
- Level 6 Beta-diketones
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Level 5
1,3-dicarbonyl compounds
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
1,3-dicarbonyl compounds
Direct Parent
Beta-diketones
Alternative Parents
Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Secondary alcohols Lactams Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,3-diketone - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Secondary alcohol - Cyclic ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors
Not available