Compound Identification
SMILES
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)Nc1ccc(Br)c(F)c1
InChIKey
InChIKey=LVIYIRWNIIQTSP-RRHKSWSFSA-N
Formula
C36H49BrFNO5
Mass
674.692
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
12-beta-hydroxysteroids Naphthalenecarboxamides Anilides N-arylamides Bromobenzenes Cyclohexenones Fluorobenzenes Aryl bromides Aryl fluorides Secondary alcohols Cyclic alcohols and derivatives Secondary carboxylic acid amides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Hydroxysteroid - 12-hydroxysteroid - 12-beta-hydroxysteroid - Steroid - 2-naphthalenecarboxamide - Anilide - N-arylamide - Halobenzene - Fluorobenzene - Cyclohexenone - Bromobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Benzenoid - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Carboxylic acid derivative - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available