Structure Information
Structure

Compound Identification

SMILES

COC1CC(OC(C)=O)C(C)(C)\C=C\C(C)(O)C(OC(C)=O)C2(O)C(O)C(C)C(OC(=O)C3=CC=CC=C3)C2C=C1C

InChIKey

InChIKey=LLRFCMBVLZWSEN-AOZIHAJDSA-N

Formula

C32H44O10

Mass

588.694

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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 - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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