Cas no 126005-83-2 (β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI))

β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI) structure
126005-83-2 structure
Product Name:β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI)
CAS No:126005-83-2
MF:C22H32O14
MW:520.481088638306
CID:143415
Update Time:2024-03-01

β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose,1-[(1S,4aS,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate](9CI)
    • b-D-Glucopyranose,1-[(1S,4aS,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxyla
    • Asystasioside C
    • b-D-Glucopyranose, 1-[1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate],[1S-(1a,4aa,7aa)]-
    • β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI)
    • Inchi: 1S/C22H32O14/c1-7-2-3-8-9(19(31)35-21-17(29)15(27)13(25)10(4-23)33-21)6-32-20(12(7)8)36-22-18(30)16(28)14(26)11(5-24)34-22/h6,8,10-18,20-30H,1-5H2
    • InChI Key: YHBNXDRLEKDOPO-UHFFFAOYSA-N
    • SMILES: OCC1C(O)C(O)C(O)C(OC2C3C(CCC3=C)C(C(OC3C(O)C(O)C(O)C(CO)O3)=O)=CO2)O1

Computed Properties

  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 36
  • XLogP3: -1.977

β-D-Glucopyranose, 1-[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylenecyclopenta[c]pyran-4-carboxylate] (9CI) Related Literature

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