Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)O[C@@H]1[C@@H](OC(C)=O)C(=O)C(C)(C)\C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]2[C@@H](OC(C)=O)C1=C

InChIKey

InChIKey=WSVMZOPQMPPQAL-KPYZLIPZSA-N

Formula

C35H44O11

Mass

640.726

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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 - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - 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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