Structure Information
Structure

Compound Identification

SMILES

CCCNCCN(C)CCNC(=O)C1C(C2CC3[C@@]4(C)CCC[C@](C)(C4CCC13C=C2C(C)C)C(O)=O)C(O)=O

InChIKey

InChIKey=KJSIBWXBBLFBJR-VSEIFRRFSA-N

Formula

C32H53N3O5

Mass

559.792

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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

Villanovane, atisane, trachylobane or helvifulvane diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Atisane diterpenoid - 1-naphthalenecarboxamide - Alkaloid or derivatives - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

External Descriptors

Not available

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