Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1CC2C(C1)C(C#N)C1CC(CC1C2C#N)C(C)(C)C

InChIKey

InChIKey=HRCUZCZIVWADDD-UHFFFAOYSA-N

Formula

C22H34N2

Mass

326.528

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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

Ileabethane, pseudopterane or nor-sandresane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Ileabethane, pseudopterane or nor-sandresane diterpenoid - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as ileabethane, pseudopterane or nor-sandresane diterpenoids. These are diterpenoids with a structure based on either the ileabethane, the pseudopterane, or the nor-sandresane skeleton. Ileabethane is a tricyclic carbon skeleton arising from the C8-C14 of serrulatane. In the nor-sandresane skeleton, a cyclohexane ring is fused to a seven-membered saturated aliphatic carbocycle, which could stem from the rearrangement of an amphilectane-based precursor involving loss of a carbon atom and a 1,2-alkyl shift with ring expansion.

External Descriptors

Not available

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