Compound Identification
SMILES
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)\C=C\C6=CC=C(O)C=C6)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
InChIKey
InChIKey=SWEBUECVVVXRRV-NUKDMGCPSA-N
Formula
C39H54O8
Mass
650.853
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 Coumaric acid esters Cinnamic acid esters Coumaric acids and derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Dicarboxylic acids and derivatives Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Secondary alcohols Polyols Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - 12-hydroxysteroid - Hydroxysteroid - 12-beta-hydroxysteroid - Steroid - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Styrene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen 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