Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VKTJHCMYCFPRCS-KVOUZOLRSA-N

Formula

C39H50O13

Mass

726.816

Export to:

JSON SDF CSV

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

Previous Back Next