Compound Q&A

How is Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside (CAS: 102130-43-8) typically synthesized?

Answer

Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside
Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside is typically synthesized through a multi-step process involving esterification and sulfonation reactions. Key steps include the formation of the 15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl ester, followed by sulfonation and the addition of the 3-methylbutanoyl group. The reaction is conducted under mild acidic or basic conditions, with careful control of temperature and pH to achieve high yield and selectivity.

About

English Name Dipotassium (1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylenetetracyclo[11.2.1.0~1,10~.0~4,9~]hexadec-7-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside
Molecular Formula C30H44K2O16S2
Molecular Weight 802.99 g/mol
SMILES OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)[O-])[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)O)OC(=O)CC(C)C.[K+].[K+]
InChIKey IUCNQFHEWLYECJ-VCQILIGCSA-L
Last Updated: 2025-09-08 00:42

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