Cas no 162341-28-8 (Pulsatilloside C)

Pulsatilloside C structure
Pulsatilloside C structure
Product Name:Pulsatilloside C
CAS No:162341-28-8
MF:C48H78O18
MW:943.122137546539
CID:182241
PubChem ID:10772188
Update Time:2025-04-19

Pulsatilloside C Chemical and Physical Properties

Names and Identifiers

    • 4)-O-b-D-glucopyranosyl-(1&reg
    • 6)-b-D-glucopyranosyl ester, (3b,4a)- (9CI)
    • Lup-20(29)-en-28-oicacid, 3,23-dihydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • Oplopanaxoside D
    • NSC 709882
    • Cirensenoside G
    • pulsatilloside C
    • CHEMBL3391872
    • HY-N8099
    • AKOS040756939
    • CS-0139946
    • 162341-28-8
    • Wujiapioside B
    • DA-57232
    • 3beta,23-dihydroxy-lup-20(29)-en-28-oic acid 28-O-alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranoside
    • Pulsatilloside C
    • Inchi： 1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1
    • InChI Key： VNTZDFZAGFBUPV-HKINQWRBSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)[C@H]([C@]1(C)CO)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)C)CC[C@]3(C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)O)O)O3)O)O)O)CC[C@@]12C

Computed Properties

  • Exact Mass: 942.51881563 g/mol
  • Monoisotopic Mass: 942.51881563 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 11
  • Complexity: 1770
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 26
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 295
  • Molecular Weight: 943.1

Experimental Properties

  • Density: 1.41±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 182-185 oC
  • Solubility: Insuluble (1.3E-3 g/L) (25 oC),

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