Cas no 915725-43-8 (11alpha,12alpha-epoxy-3beta-[(O-beta-D-galactopyranosyl-(1->3)]-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide)

11alpha,12alpha-epoxy-3beta-[(O-beta-D-galactopyranosyl-(1->3)]-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide structure
915725-43-8 structure
Product Name:11alpha,12alpha-epoxy-3beta-[(O-beta-D-galactopyranosyl-(1->3)]-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide
CAS No:915725-43-8
MF:C48H74O20
MW:971.08917760849
CID:2044666
Update Time:2025-03-11

11alpha,12alpha-epoxy-3beta-[(O-beta-D-galactopyranosyl-(1->3)]-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide Chemical and Physical Properties

Names and Identifiers

    • 11alpha,12alpha-epoxy-3beta-[(O-beta-D-galactopyranosyl-(1->3)]-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide
    • (3β,11α,12α)-11,12:13,28-Diepoxy-28-oxooleanan-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid
    • β-D-Glucopyranosiduronic acid, (3β,11α,12α)-11,12:13,28-diepoxy-28-oxooleanan-3-yl O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-
    • Inchi: 1S/C48H74O20/c1-42(2)12-14-47-15-13-46(7)45(6)11-8-21-43(3,4)23(9-10-44(21,5)35(45)34-36(64-34)48(46,22(47)16-42)68-41(47)60)63-40-33(67-39-29(56)27(54)25(52)20(18-50)62-39)31(30(57)32(66-40)37(58)59)65-38-28(55)26(53)24(51)19(17-49)61-38/h19-36,38-40,49-57H,8-18H2,1-7H3,(H,58,59)
    • InChI Key: RGSOSFOWYJTERX-UHFFFAOYSA-N
    • SMILES: CC1(CC2C3(C(=O)OC42C2C(C5C(C4(C)CC3)(C)CCC3C5(CCC(C3(C)C)OC3C(OC4C(O)C(O)C(O)C(CO)O4)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(C(=O)O)O3)C)O2)CC1)C

Experimental Properties

  • Density: 1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • pka: 2.68±0.70(Predicted)
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