Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@H]1[C@@H](O)C(C)(C)C=C[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@@H](OC(=O)C(C)CC)C(=C)[C@@H]1OCC(C)C

InChIKey

InChIKey=IPTVQTRTKLELPQ-LGIHIOGZSA-N

Formula

C34H56O9

Mass

608.813

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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

Aliphatic homopolycyclic compounds

Substituents

Jatrophane diterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Ketone - Carboxylic acid ester - Secondary alcohol - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic 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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