Compound Identification
SMILES
CC(C)C(=C)CCC([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(=O)C1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=BMRXKURCHPMXTP-JCOGVSKUSA-N
Formula
C38H52O6
Mass
604.828
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Triterpenoids
-
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
Ergostane steroids Monohydroxy bile acids, alcohols and derivatives Steroid acids 16-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-7-steroids p-Hydroxybenzoic acid alkyl esters Medium-chain fatty acids Benzoyl derivatives Hydroxy fatty acids 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Ergostane-skeleton - Cholane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Steroid acid - 14-alpha-methylsteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - Hydroxysteroid - Steroid - Delta-7-steroid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzoic acid or derivatives - Medium-chain fatty acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Hydroxy fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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