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CAS 1246012-25-8

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Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

Description:
The chemical substance with the name "Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate" and CAS number 1246012-25-8 is a complex organic compound characterized by its intricate stereochemistry and functional groups. It features a hexahydrocyclopenta[c]pyran core, which is modified with various substituents, including an acetyloxy group and a β-D-glucopyranosyloxy moiety. The presence of multiple chiral centers contributes to its stereochemical diversity, influencing its biological activity and potential applications. The compound also contains a phenyl group linked through an enone structure, suggesting potential reactivity and interactions in biological systems. Its structural complexity indicates that it may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Overall, this substance exemplifies the rich diversity of natural product derivatives and their potential utility in various fields, including pharmaceuticals and biochemistry.
Formula:C28H34O14
InChI:InChI=1S/C28H34O14/c1-14(30)42-27(2)11-18(40-19(31)10-9-15-7-5-4-6-8-15)28(36)16(24(35)37-3)13-38-26(23(27)28)41-25-22(34)21(33)20(32)17(12-29)39-25/h4-10,13,17-18,20-23,25-26,29,32-34,36H,11-12H2,1-3H3/b10-9+/t17-,18-,20-,21+,22-,23-,25+,26+,27+,28-/m1/s1
InChI key:InChIKey=IMFOXIVSWVZHOK-WYCHZZGMSA-N
SMILES:O[C@@]12[C@@]([C@](OC(C)=O)(C)C[C@H]1OC(/C=C/C3=CC=CC=C3)=O)([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C2C(OC)=O)[H]
Synonyms:
  • 6-O-trans-Cinnamoylphlorigidoside B
  • Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate
  • Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aR,5R,7S,7aS)-
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