Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@@H]1C(OC(C)=O)C(=C)C(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](O)[C@H](C)\C=C\C(C)(C)C1=O

InChIKey

InChIKey=WWNWMZIUAQDDRB-WQZXIQLZSA-N

Formula

C36H48O11

Mass

656.769

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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 homopolycyclic compounds

Substituents

Jatrophane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic 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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