Cas no 915725-41-6 (11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide)

11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide structure
915725-41-6 structure
Product Name:11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide
CAS No:915725-41-6
MF:C36H54O10
MW:646.807972431183
CID:2062526
Update Time:2025-03-11

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

Names and Identifiers

    • 11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranosyl)oxy]olean-28,13-olide
    • (3β,11α,12α)-11,12:13,28-Diepoxy-28-oxooleanan-3-yl β-D-glucopyranosiduronic acid
    • Inchi: 1S/C36H54O10/c1-30(2)12-14-35-15-13-34(7)33(6)11-8-17-31(3,4)19(43-28-22(39)20(37)21(38)23(45-28)27(40)41)9-10-32(17,5)25(33)24-26(44-24)36(34,18(35)16-30)46-29(35)42/h17-26,28,37-39H,8-16H2,1-7H3,(H,40,41)
    • InChI Key: NTEHKHUUGJVIBF-UHFFFAOYSA-N
    • SMILES: CC1(CC2C3(C(=O)OC42C2C(C5C(C4(C)CC3)(C)CCC3C5(CCC(C3(C)C)OC3C(O)C(O)C(O)C(C(=O)O)O3)C)O2)CC1)C

Experimental Properties

  • Density: 1.34±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • pka: 2.82±0.70(Predicted)
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