Compound Identification
SMILES
C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CCC(=O)[C@]2(O)CCl)[C@@]11CC(OC1=O)C1=COC=C1
InChIKey
InChIKey=JPVQRCXHVVLUCP-XIVXINASSA-N
Formula
C22H25ClO8
Mass
452.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Diterpene lactones
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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
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Colensane and clerodane diterpenoids Gamma butyrolactones Dicarboxylic acids and derivatives Acyloins Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Furans Cyclic ketones Cyclic alcohols and derivatives Chlorohydrins Carboxylic acid esters Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Diterpenoid - Diterpene lactone - Gamma butyrolactone - Dicarboxylic acid or derivatives - Acyloin - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Cyclic ketone - Lactone - Ketone - Halohydrin - Chlorohydrin - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available