Cas no 114906-75-1 (Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-6-O-acetyl-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-)

Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-6-O-acetyl-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- structure
114906-75-1 structure
Product Name:Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-6-O-acetyl-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-
CAS No:114906-75-1
MF:C61H98O26
MW:1247.41524267197
CID:1204889
PubChem ID:21626482
Update Time:2024-11-04

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

Names and Identifiers

    • CiwujianosideC4
    • 4)-O-6-O-acetyl-b-D-glucopyranosyl-(1&reg
    • 6)-b-D-glucopyranosyl ester, (3b)
    • 6)-b-D-glucopyranosyl ester, (3b)-
    • Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
    • O-6-Deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl (3beta)-3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]olean-12-en-28-oate
    • CHEMBL3981731
    • 114906-75-1
    • HY-N12296
    • CS-0897301
    • DTXSID201098868
    • ciwujianoside C4
    • (-)-Ciwujianoside C4
    • O-6-Deoxy-I+/--L-mannopyranosyl-(1a4)-O-6-O-acetyl-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl (3I(2))-3-[[2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranosyl]oxy]olean-12-en-28-oate
    • Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-, O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl ester, (3beta)-
    • DA-72248
    • Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-6-O-acetyl-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-
    • Inchi： 1S/C61H98O26/c1-25-36(64)40(68)44(72)51(80-25)85-48-32(24-77-27(3)62)83-50(47(75)43(48)71)79-23-31-39(67)42(70)46(74)53(82-31)87-55(76)61-19-17-56(4,5)21-29(61)28-11-12-34-58(8)15-14-35(57(6,7)33(58)13-16-60(34,10)59(28,9)18-20-61)84-54-49(38(66)30(63)22-78-54)86-52-45(73)41(69)37(65)26(2)81-52/h11,25-26,29-54,63-75H,12-24H2,1-10H3/t25-,26-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,58-,59+,60+,61-/m0/s1
    • InChI Key： RHHSFOQSESHVRS-WYRPNKAHSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]7[C@@H]([C@H]([C@@H]([C@@H](COC(C)=O)O7)O[C@H]7[C@@H]([C@@H]([C@H]([C@H](C)O7)O)O)O)O)O)O6)O)O)O)CCC(C)(C)C[C@H]5C4=CC[C@@H]32)C1(C)C

Computed Properties

  • Exact Mass: 1246.635
  • Monoisotopic Mass: 1246.635
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 87
  • Rotatable Bond Count: 15
  • Complexity: 2470
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 32
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 399A^2
  • XLogP3: -0.2

Experimental Properties

  • PSA: 398.66000
  • LogP: -0.94600

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

Related Categories

114906-75-1 (Olean-12-en-28-oicacid, 3-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-6-O-acetyl-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-) Related Products

Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD