Compound Identification
SMILES
CC(OC(C)=O)C(C)(OC(C)=O)C(=O)OC1C=C(C)C2C[C@H](OC(C)=O)C(=C)C2C2OC(=O)C(=C)[C@H]12
InChIKey
InChIKey=YGJFGTATQFSXLS-GQCDJAAISA-N
Formula
C26H32O10
Mass
504.532
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Guaianolides and derivatives
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Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Sesquiterpene lactones
Direct Parent
Guaianolides and derivatives
Alternative Parents
Pentacarboxylic acids and derivatives Guaianes Fatty acid esters Gamma butyrolactones Tetrahydrofurans Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Pentacarboxylic acid or derivatives - Guaiane sesquiterpenoid - Sesquiterpenoid - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Enoate ester - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available