Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C(=O)O[C@H]2O[C@]34C(=O)O[C@@H]5C[C@@H](C(C)(C)C)[C@@]12[C@@]35C[C@@H]1OC(=O)[C@@H](C)[C@]41OC

InChIKey

InChIKey=DSTYORWLVHQOMZ-LBWBVMHUSA-N

Formula

C22H28O9

Mass

436.457

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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

Ginkgolide-skeleton - Diterpenoid - Tricarboxylic acid or derivatives - Furofuran - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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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