Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=C[C@@H]4O[C@]33[C@@H]5SCCN5C(=O)C3[C@H]4C(O)=O)C(=C)CC[C@@H]12

InChIKey

InChIKey=WXUXIIFADRQRQQ-DNTOXZTNSA-N

Formula

C28H37NO6S

Mass

515.67

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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

Colensane and clerodane diterpenoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Clerodane diterpenoid - Isoindolone - Isoindoline - Isoindole or derivatives - Furopyrrole - Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dihydrofuran - Furan - Oxolane - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Carboxamide group - Amino acid or derivatives - Lactam - Amino acid - Carboxylic acid ester - Tertiary amine - Azacycle - Oxacycle - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid - Hemithioaminal - Thioether - Carboxylic acid derivative - Ether - Dialkyl ether - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

External Descriptors

Not available

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