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)OCC#C)[C@H]1CC2C(=C3)C(C)C
InChIKey
InChIKey=NZESUYOKULGGPN-SRBKIOKUSA-M
Formula
C33H49BrN2O4
Mass
617.669
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 Carboxylic acid esters Acetylides Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic bromide salts Amines 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 - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Acetylide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic bromide salt - Organic oxygen compound - Amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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