Compound Identification
SMILES
CC(C)CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@]2(CO2)[C@@H]2[C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C(=C)CC[C@H](OC(C)=O)[C@@]12C
InChIKey
InChIKey=RUUYNOJIWKAXLY-BXMDPOMVSA-N
Formula
C31H43ClO12
Mass
643.12
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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Briarane diterpenoid - Pentacarboxylic acid or derivatives - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Oxirane - Ether - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Organooxygen compound - 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