Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)[C@@]2(C)C[C@@H](O)[C@H]3[C@@](C)(C[C@H](C)[C@]33[C@@]45C[C@](C)(C[C@H](OC(C)=O)[C@]4(C)[C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]3(C)O)C(=O)O5)C2CC1=O

InChIKey

InChIKey=OSZHXHXGXNDJCF-JCPQNSAZSA-N

Formula

C42H54O12

Mass

750.882

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Diterpenoid - Diterpene lactone - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Caprolactone - Benzoyl - Cyclohexenone - Oxepane - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

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