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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
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Level 5
Diterpene lactones
- Level 6 Ginkgolides and bilobalides
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Level 5
Diterpene lactones
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Subclass
Terpene lactones
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Diterpenoids Tricarboxylic acids and derivatives Furofurans Acylals Sulfonic acid esters Organosulfonic acid esters Gamma butyrolactones Sulfonyls Oxolanes Methanesulfonates Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
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