Cas no 135101-62-1 (α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy-)

α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy- structure
135101-62-1 structure
Product Name:α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy-
CAS No:135101-62-1
MF:C41H68O13
MW:769
CID:234761
PubChem ID:139292093
Update Time:2024-03-01

α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy- Chemical and Physical Properties

Names and Identifiers

    • a-L-Mannopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(b-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy-
    • a-L-Mannopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(b-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy
    • (-)-Cyclocarposide
    • Cyclocarposide
    • CID 139292093
    • α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy-
    • DTXSID801346655
    • 135101-62-1
    • Inchi： 1S/C41H68O13/c1-19-26(44)28(46)30(48)34(51-19)52-22-15-23-38(7)16-20(42)31(39(8)11-9-25(54-39)36(4,5)49)37(38,6)13-14-40(23)18-41(40)12-10-24(35(2,3)32(22)41)53-33-29(47)27(45)21(43)17-50-33/h19-34,42-49H,9-18H2,1-8H3/t19-,20+,21-,22+,23?,24?,25+,26-,27+,28+,29-,30+,31?,32?,33+,34-,37-,38+,39?,40+,41-/m1/s1
    • InChI Key： UPADPCUOTDTWHH-SYRJEBCESA-N
    • SMILES： O([C@@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)O)O)[C@H]1CC2[C@]3(C)C[C@@H](C(C4(C)CC[C@@H](C(C)(C)O)O4)[C@@]3(C)CC[C@@]32C[C@]23CCC(C(C)(C)C21)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

Computed Properties

  • Exact Mass: 768.46599222g/mol
  • Monoisotopic Mass: 768.46599222g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 6
  • Complexity: 1450
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 208
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.35±0.1 g/cm3(Predicted)
  • Boiling Point: 863.3±65.0 °C(Predicted)
  • pka: 13.03±0.70(Predicted)

α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy- Related Literature

135101-62-1 (α-L-Mannopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy-) Related Products

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