Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCSC)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@H](CCC(=O)[C@@H]31)OC(=O)CCC(O)=O

InChIKey

InChIKey=OYTUZUSUAAMIIY-OXFPIBPNSA-N

Formula

C36H53NO8S

Mass

659.88

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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 - Methionine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - Alpha-amino acid or derivatives - Alkaloid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organopnictogen compound - 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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