Compound Identification
SMILES
CC(CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
InChIKey
InChIKey=YCXUCEXEMJPDRZ-LQYCGFKASA-N
Formula
C32H44O9
Mass
572.695
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
Monohydroxy bile acids, alcohols and derivatives Steroid esters Steroid acids 7-oxosteroids 3-beta-hydroxysteroids 14-alpha-methylsteroids 11-oxosteroids Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Cyclohexenones Alpha-acyloxy ketones Dicarboxylic acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - 23-oxosteroid - Monohydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Steroid ester - Steroid acid - 14-alpha-methylsteroid - 7-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - 15-oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - Steroid - Medium-chain keto acid - Gamma-keto acid - Cyclohexenone - Alpha-acyloxy ketone - Keto acid - Dicarboxylic acid or derivatives - Cyclic alcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic 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