Compound Identification
SMILES
C[C@@H]1C(=O)C=CC2=CC[C@@H]3[C@@H]([C@@]3(C)C(=O)OCC(=O)C3=CC=C(Br)C=C3)[C@@]12C
InChIKey
InChIKey=PRERMFVQNIYLBB-NCEGDZEGSA-N
Formula
C23H23BrO4
Mass
443.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Aristolane sesquiterpenoids
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Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aristolane sesquiterpenoids
Alternative Parents
Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Cyclohexenones Bromobenzenes Alpha-acyloxy ketones Cyclopropanecarboxylic acids and derivatives Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aristolane sesquiterpenoid - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Bromobenzene - Cyclohexenone - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Ketone - Cyclic ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as aristolane sesquiterpenoids. These are sesquiterpenoids with a structure based on the aristolane skeleton. Aristolanes arise from the C6,C11 cyclization of the bicyclic eremophilane skeleton.
External Descriptors
Not available