Structure Information
Structure

Compound Identification

SMILES

CC1\C=C\C(C)(C)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=C)C(OC(C)=O)C2C(OC(C)=O)C(C)(CC2(OC(C)=O)C1=O)OC(=O)c1ccccc1

InChIKey

InChIKey=FNACLYUOYPRWGC-ISLYRVAYSA-N

Formula

C39H48O15

Mass

756.798

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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 - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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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