Cas no 121449-76-1 (Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)-)

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)- structure
121449-76-1 structure
Product Name:Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)-
CAS No:121449-76-1
MF:C65H106O31
MW:1383.51856470108
CID:146560
PubChem ID:195332
Update Time:2025-04-19

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)- Chemical and Physical Properties

Names and Identifiers

    • kalopanax saponin C
    • 3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 3-O-(alpha-Rhamnopyranosyl-(1-2)-alpha-arabinopyranosyl)hedragenin-28-(alpha-rhamnopyranosyl-(1-2)-beta-glucopyranosyl-(1-6)-beta-glucopyranosyl)ester
    • 4)-O-b-D-glucopyranosyl-(
    • 4)-O-b-D-glucopyranosyl-(1&reg
    • 6)-b-D-glucopyranosyl ester, (3b,4a)-
    • 6-deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-
    • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-.beta
    • 121449-76-1
    • CHEMBL1910841
    • 3-O-beta-D-glucopyranosyl-(1->3)-[alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranosylhederagenin-28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
    • Kalopanaxsaponin C
    • DTXSID601315965
    • 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
    • Q27137711
    • CHEBI:69372
    • Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)-
    • Inchi： 1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3
    • InChI Key： SDOYPCMINZZTMA-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(CO1)O)O)OC1C(C(C(C(C)O1)O)OC1C(C(C(C(CO)O1)O)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)OC6C(C(C(C(COC7C(C(C(C(CO)O7)OC7C(C(C(C(C)O7)O)O)O)O)O)O6)O)O)O)CCC(C)(C)CC5C4=CCC32)C1(C)CO

Computed Properties

  • Exact Mass: 1382.67188
  • Monoisotopic Mass: 1382.6718066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 18
  • Hydrogen Bond Acceptor Count: 31
  • Heavy Atom Count: 96
  • Rotatable Bond Count: 17
  • Complexity: 2700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 38
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.5
  • Topological Polar Surface Area: 492?2

Experimental Properties

  • PSA: 491.97

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)- Related Literature

Related Categories

121449-76-1 (Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®3)]-a-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b,4a)-) Related Products

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