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CAS 36138-58-6

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(1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid

Description:
The chemical substance with the name "(1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid" and CAS number 36138-58-6 is a complex organic compound characterized by its intricate structure, which includes multiple stereocenters and functional groups. This substance features a glucopyranosyl moiety, indicating it is a glycoside, which often enhances solubility and biological activity. The presence of a cyclopenta[c]pyran core suggests potential applications in medicinal chemistry, particularly due to its structural similarity to various natural products known for their pharmacological properties. The compound also contains hydroxyl and carboxylic acid functional groups, which can participate in hydrogen bonding and contribute to its reactivity and solubility in polar solvents. Overall, this compound's unique structure may confer specific biological activities, making it of interest for further research in fields such as drug development and natural product chemistry.
Formula:C25H28O13
InChI:InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+/t14-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1
InChI key:InChIKey=WJPRKOJNQIZCGY-OZOLURDPSA-N
SMILES:O([C@H]1[C@]2([C@@](C(C(O)=O)=CO1)(C=C[C@@]2(COC(/C=C/C3=CC=C(O)C=C3)=O)O)[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Synonyms:
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-, (1S,4aS,7R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]-, [1S-[1α,4aα,7β,7(E),7aα]]-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]-, (1S,4aS,7R,7aS)-
  • (1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid
  • Vaccinoside
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