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CAS 99043-04-6

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(3S,4S,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoyl]oxy-tetrahydropyran-2-carboxylic acid

Description:
The chemical substance known as "(3S,4S,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoyl]oxy-tetrahydropyran-2-carboxylic acid," with the CAS number 99043-04-6, is a complex organic compound characterized by its multiple hydroxyl groups and a tetrahydropyran ring structure. This compound features a carboxylic acid functional group, which contributes to its acidity and solubility in polar solvents. The presence of methoxy and hydroxy substituents indicates potential for hydrogen bonding, influencing its reactivity and interactions with biological systems. The isobenzofuran moiety suggests that it may exhibit interesting pharmacological properties, possibly acting as a bioactive compound. Its stereochemistry, indicated by the (3S,4S,6S) configuration, is crucial for its biological activity, as stereoisomers can have significantly different effects in biological systems. Overall, this compound's structural complexity and functional groups suggest potential applications in medicinal chemistry and biochemistry.
Formula:C23H28O12
InChI:InChI=1/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18?,20?,23+/m0/s1
InChI key:QBMSTEZXAMABFF-UEARNRKISA-N
SMILES:CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O
Found 10 products.