Cas no 17059-27-7 (Card-20(22)-enolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-3-O-methyl-b-D-glucopyranosyl)oxy]-14-hydroxy-,(3b,5b)- (9CI))

Card-20(22)-enolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-3-O-methyl-b-D-glucopyranosyl)oxy]-14-hydroxy-,(3b,5b)- (9CI) structure
17059-27-7 structure
Product Name:Card-20(22)-enolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-3-O-methyl-b-D-glucopyranosyl)oxy]-14-hydroxy-,(3b,5b)- (9CI)
CAS No:17059-27-7
MF:C36H56O13
MW:696.822052955627
CID:183377
Update Time:2024-03-01

Card-20(22)-enolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-3-O-methyl-b-D-glucopyranosyl)oxy]-14-hydroxy-,(3b,5b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Card-20(22)-enolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-3-O-methyl-b-D-glucopyranosyl)oxy]-14-hydroxy-,(3b,5b)- (9CI)
    • ObebiosideA
    • Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
    • Inchi: 1S/C36H56O13/c1-17-30(49-32-28(41)27(40)26(39)24(15-37)48-32)31(44-4)29(42)33(46-17)47-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(38)45-16-18/h13,17,19-24,26-33,37,39-43H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22+,23-,24-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+/m1/s1
    • InChI Key: LBCSKUSUYQVKDB-CWIMVSJKSA-N
    • SMILES: [C@@H]1(O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@](CC1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.38±0.1 g/cm3(Predicted)
  • Boiling Point: 856.7±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.79±0.70(Predicted)
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