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Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1[C@H](C)C[C@H]2[C@@H]1CC(=C)C(=O)C[C@H]1C(C)(C)C=C[C@@]1(C)[C@H]2OCC1=CC=C(OC)C=C1

InChIKey

InChIKey=HEBVYEPUFPCXPO-GNVCJBNZSA-N

Formula

C29H40O4

Mass

452.635

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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

9,13-cyclojatrophane diterpenoid - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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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