Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@@H](CS(C)=O)[C@@H]2CC[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1C2

InChIKey

InChIKey=XPXZAGRUYOIDJC-FGZREZAUSA-N

Formula

C22H36O4S

Mass

396.59

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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 - Alkaloid or derivatives - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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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