Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1\C=C\C(C)(C)[C@@H](OC(=O)C2=CN=CC=C2)[C@@H](O)[C@H](OC(C)=O)C(=C)[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@@](C)(C[C@]2(O)[C@@H]1OC(C)=O)OC(C)=O

InChIKey

InChIKey=GLYDSECXZWCLMS-JLCOFCIJSA-N

Formula

C41H49NO14

Mass

779.836

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Jatrophane and cyclojatrophane diterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Jatrophane diterpenoid - Hexacarboxylic acid or derivatives - Benzoate ester - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.

External Descriptors

Not available

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