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CAS 35943-38-5

:

(3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one

Description:
The chemical substance with the name "(3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one" and CAS number "35943-38-5" is a complex organic compound characterized by its unique structural features. It contains a chiral center, indicated by the (3S) configuration, which contributes to its stereochemistry and potential biological activity. The presence of a glucopyranosyl moiety suggests that it may exhibit properties associated with glycosides, potentially influencing its solubility and interaction with biological systems. The compound features a dihydro-indenone core, which is known for its stability and reactivity, particularly in organic synthesis. Additionally, the presence of multiple methyl groups contributes to its hydrophobic characteristics, which may affect its pharmacokinetics. Overall, this compound's structural complexity and functional groups indicate potential applications in medicinal chemistry, particularly in the development of bioactive compounds or as a lead structure for further modifications.
Formula:C21H30O8
InChI:InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1
InChI key:InChIKey=TUGWHBZURNWRDG-LNZAMEHWSA-N
SMILES:O[C@H]1C=2C(=C(C)C(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C)C2)C(=O)C1(C)C
Synonyms:
  • (3S)-Pteroside D
  • (3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one
  • Pteroside D
  • 1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-, (S)-
  • 1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-, (3S)-
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