Compound Identification
SMILES
CC(C)CC(=O)O[C@@H]1\C=C/C(/CO)=C\C2OC(=O)C(C)C2(O)[C@H](OC(C)=O)C2[C@@]3(CO3)CC(OC(C)=O)C(OC(C)=O)[C@]12C
InChIKey
InChIKey=YQJSRCJPTWHXLB-QGRSNTLMSA-N
Formula
C31H42O13
Mass
622.664
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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Subclass
Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Briarane diterpenoids Pentacarboxylic acids and derivatives Fatty acid esters Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Briarane diterpenoid - Pentacarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Gamma butyrolactone - Tertiary alcohol - Tetrahydrofuran - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Primary alcohol - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic 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