Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)[C@@]1(CC2OC(=O)CC22C(=O)OC3OC(=O)[C@@H](OS(C)(=O)=O)C123)OS(C)(=O)=O

InChIKey

InChIKey=UHWYBHZBJFBRPU-INMVHVFQSA-N

Formula

C17H22O12S2

Mass

482.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Diterpene lactones

Direct Parent

Ginkgolides and bilobalides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Bilobalide - Diterpenoid - Tricarboxylic acid or derivatives - Furofuran - Acylal - Organosulfonic acid ester - Sulfonic acid ester - Gamma butyrolactone - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Methanesulfonate - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ginkgolides and bilobalides. These are diterpene lactones with a structure based either on the gingkolide or the bilobalide skeleton. The ginkgolide skeleton is a very rigid structure consisting of hexacyclic C20 trilactone. The cis-fused F/A/D/C ring junction forms an empty semi-ball hole, the D ring contains a cage form tetrahydrofuran ring which occupies the center of the empty hole, and the oxygen atoms of the D,C and F ring and 10-hydroxyl group consist of an analogous crown ether structure.

External Descriptors

Not available

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