Compound Identification
SMILES
[Br-].CC[N+](C)(C)CCN1C(=O)C2C(C1=O)C13CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(O)=O)[C@H]1CC2C(=C3)C(C)C
InChIKey
InChIKey=SSMKSZJPKKFJBD-VCRSHOFFSA-N
Formula
C30H47BrN2O4
Mass
579.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Villanovane, atisane, trachylobane or helvifulvane diterpenoids
Direct Parent
Atisane diterpenoids
Alternative Parents
Isoindolones Alkaloids and derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Tetraalkylammonium salts Dicarboximides Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Amines Carbonyl compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Atisane diterpenoid - Isoindolone - Isoindoline - Isoindole or derivatives - Alkaloid or derivatives - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organic bromide salt - Organooxygen compound - Organic cation - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.
External Descriptors
Not available