Compound Identification
SMILES
COC(=O)C1=CC[C@@]23CC[C@@H]([C@@]2(CC1)OC(=O)CC1=CC=C(Cl)C=C1)C(C)(OC3=O)C=CC=C(C)C(O)=O
InChIKey
InChIKey=NASCNLSRANKCAV-QLVNZVBKSA-N
Formula
C29H31ClO8
Mass
543.01
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
Sphenolobane diterpenoids Tetracarboxylic acids and derivatives Oxepanes Delta valerolactones Chlorobenzenes Oxanes Aryl chlorides Methyl esters Enoate esters Oxacyclic compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Diterpene lactone - Prenyldaucane diterpenoid - Tetracarboxylic acid or derivatives - Caprolactone - Halobenzene - Delta_valerolactone - Delta valerolactone - Chlorobenzene - Oxepane - Monocyclic benzene moiety - Aryl halide - Oxane - Aryl chloride - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - 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