Compound Identification
SMILES
CCC(=O)OC1CC(OC(C)=O)C2(C)C(C1C)C(OC(C)=O)C13OC1(C)C(=O)OC3C=C(C)CC(OC(C)=O)C2OC(C)=O
InChIKey
InChIKey=ICRWAMKSOZMQIE-UHFFFAOYSA-N
Formula
C31H42O13
Mass
622.664
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Diterpene 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
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Hexacarboxylic acids and derivatives Briarane diterpenoids Gamma butyrolactones 1,4-dioxanes Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Hexacarboxylic acid or derivatives - Briarane diterpenoid - Para-dioxane - Gamma butyrolactone - Tetrahydrofuran - Lactone - Carboxylic acid ester - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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