Structure Information
Structure

Compound Identification

SMILES

CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@@H](C)\C=C\C(C)(C)[C@H](OC(=O)C2=CN=CC=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)C1=C)OC(=O)C1=CN=CC=C1

InChIKey

InChIKey=CWRPLMHGZHSFHZ-FTJOJWPCSA-N

Formula

C44H52N2O15

Mass

848.899

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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 - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alpha-acyloxy ketone - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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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