Structure Information
Structure

Compound Identification

SMILES

CSC=CC(=O)OC1CC(C)C2(C)CC3=C(OC=C3C)C(O)C2C1

InChIKey

InChIKey=PCGQGFYOHXONPG-UHFFFAOYSA-N

Formula

C19H26O4S

Mass

350.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Vinylogous thioester - Furan - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Thioenolether - Secondary alcohol - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

External Descriptors

Not available

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