Cas no 155569-77-0 (Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI))

Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) structure
155569-77-0 structure
Product Name:Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
CAS No:155569-77-0
MF:C53H86O22
MW:1075.23675966263
CID:159679
PubChem ID:73129
Update Time:2025-04-19

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

Names and Identifiers

    • 3-O-(beta-D-Glucopyranosyl(1-6)-beta-D-glucopyranosyl(1-4)-alpha-L-rhamnopyranosyl(1-4)-beta-D-xylopyranosyl)-3beta,23-dihydroxy delta(12)-oleanen-28-carboxylic acid
    • 4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 6)-O-b-D-glucopyranosyl-(1&reg
    • Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-beta-D-xylopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
    • Transsylvanoside A
    • 155569-77-0
    • Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • Inchi： 1S/C53H86O22/c1-23-42(75-46-40(64)36(60)33(57)27(73-46)20-68-43-39(63)35(59)32(56)26(19-54)71-43)37(61)41(65)45(70-23)72-28-21-69-44(38(62)34(28)58)74-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
    • InChI Key： MQDPNHFRYVCDQE-WJBLRBLFSA-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](C)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O)O)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@@H]32)[C@]1(C)CO

Computed Properties

  • Exact Mass: 1074.561
  • Monoisotopic Mass: 1074.561
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 75
  • Rotatable Bond Count: 12
  • Complexity: 2060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 28
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 354A^2
  • XLogP3: -0.1

Experimental Properties

  • Density: 1.46
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.632

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

Related Categories

155569-77-0 (Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®4)-b-D-xylopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)) Related Products

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