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Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1[C@H](C)C[C@H]2[C@@H]1C[C@](C)(O)[C@@H](O)\C=C1\C(C)(C)C=C[C@@]1(C)C2=O

InChIKey

InChIKey=BCKWCGTXFVXIQK-OTCSBQNPSA-N

Formula

C21H32O4

Mass

348.483

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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

9,13-cyclojatrophane diterpenoid - Tertiary alcohol - Secondary alcohol - Ketone - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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