Cas no 106452-34-0 (b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)- (9CI))

b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)- (9CI) structure
106452-34-0 structure
Product Name:b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)- (9CI)
CAS No:106452-34-0
MF:C42H68O12
MW:764.982134819031
CID:159474
Update Time:2024-01-25

b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (3b,16b)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)- (9CI)
    • 2H,5H-14a,4a-(Epoxymethano)picene,b-D-glucopyranoside deriv.
    • Oleanane, b-D-glucopyranoside deriv.
    • Prosaikogenin E 2
    • β-D-Glucopyranoside, (3β,16β)-13,28-epoxy-16-hydroxyolean-11-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-
    • Inchi: 1S/C42H68O12/c1-21-28(45)29(46)31(48)34(51-21)54-33-22(19-43)52-35(32(49)30(33)47)53-27-11-12-38(6)23(37(27,4)5)9-13-39(7)24(38)10-14-42-25-17-36(2,3)15-16-41(25,20-50-42)26(44)18-40(39,42)8/h10,14,21-35,43-49H,9,11-13,15-20H2,1-8H3/t21-,22+,23-,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34-,35-,38-,39+,40-,41+,42-/m0/s1
    • InChI Key: NILODBGKNDNAMN-QQPUOAOCSA-N
    • SMILES: O([C@H]1[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@]4(OC[C@]5([C@@]4([H])C[C@@](C)(C)CC5)[C@H](O)C3)C=C1)C)(C)CC2)[H])(C)C)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.32±0.1 g/cm3(Predicted)
  • Boiling Point: 852.0±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.79±0.70(Predicted)
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