Cas no 152406-42-3 (Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI))

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) structure
152406-42-3 structure
Product Name:Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
CAS No:152406-42-3
MF:C59H96O26
MW:1221.37796211243
CID:197716
PubChem ID:3081325
Update Time:2025-04-19

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid
    • 2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-
    • 3)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 4)]-O-b-D-glucopyranosyl-(1&r
    • 4)]-O-b-D-glucopyranosyl-(1&reg
    • Dipsacus saponin B
    • 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
    • Hederagenin-3-O-glucopyranosyl-1-4-(rhamnopyranosyl-1-6)-glucopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranoside
    • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabino-pyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
    • 152406-42-3
    • Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • Inchi： 1S/C59H96O26/c1-24-34(63)38(67)42(71)48(77-24)84-46-41(70)35(64)25(2)78-52(46)85-47-45(83-50-44(73)40(69)37(66)29(21-61)80-50)30(81-49-43(72)39(68)36(65)28(20-60)79-49)22-76-51(47)82-33-12-13-55(5)31(56(33,6)23-62)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,53(74)75)18-16-57(26,58)7/h9,24-25,27-52,60-73H,10-23H2,1-8H3,(H,74,75)/t24-,25-,27+,28+,29+,30-,31?,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47+,48-,49-,50+,51-,52-,55-,56?,57+,58+,59-/m0/s1
    • InChI Key： XFQHPZLNJGZIIH-DELHDUSRSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)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(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@@H]5C4=CC[C@@H]32)C1(C)CO

Computed Properties

  • Exact Mass: 1220.618983
  • Monoisotopic Mass: 1220.618983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 85
  • Rotatable Bond Count: 14
  • Complexity: 2370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 31
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 413
  • XLogP3: -0.6

Experimental Properties

  • Density: 1.48
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) Related Literature

Related Categories

152406-42-3 (Olean-12-en-28-oicacid, 3-[(O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[b-D-glucopyranosyl-(1®4)]-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)) Related Products

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