Cas no 80952-73-4 (beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl)

beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl structure
80952-73-4 structure
Product Name:beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl
CAS No:80952-73-4
MF:C36H64O10
MW:656.887372970581
CID:5573846
PubChem ID:21599927
Update Time:2024-03-01

beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl Chemical and Physical Properties

Names and Identifiers

    • CHEMBL3594357
    • beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl
    • 80952-73-4
    • DTXSID101146420
    • Inchi: 1S/C36H64O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h19-30,37-44H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,29-,30+,33+,34+,35+,36+/m0/s1
    • InChI Key: LTEPQNJXCFBNEO-BIYWFNTMSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1C[C@]2(C)[C@H](C[C@H]([C@@H]3[C@@H]([C@@](C)(CCCC(C)(C)O)O)CC[C@@]23C)O)[C@@]2(C)CC[C@@H](C(C)(C)[C@@H]21)O

Computed Properties

  • Exact Mass: 656.44994823g/mol
  • Monoisotopic Mass: 656.44994823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 8
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 180?2

beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: 12-Tungstosilicic acid Solvents: Methanol ,  Water ;  5 h, pH 3, rt → 60 °C
Reference
A novel catalytic application of heteropoly acids: Chemical transformation of major ginsenosides into rare ginsenosides exemplified by Rg1
Cao, Jie; et al, Science China: Chemistry, 2017, 60(6), 748-753

beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl Raw materials

beta-D-Glucopyranoside, (3beta,6alpha,12beta,20R)-3,12,20,25-tetrahydroxydammaran-6-yl Preparation Products

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