Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=JUTSMXHGEKYOLZ-NAYSYUIOSA-N

Formula

C35H46O11

Mass

642.742

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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 - Pentacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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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