Cas no 147666-63-5 (b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI))

b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI) structure
147666-63-5 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI)
CAS No:147666-63-5
MF:C59H94O29
MW:1267.36028242111
CID:161482
PubChem ID:3083427
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3
    • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30
    • 2)- (9CI)
    • 2)-O-b-D-galactopyranosyl-(1&reg
    • 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)o xan-3-yl]oxy-oxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamet hyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]- 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-oxan-2 -yl)oxy-oxan-2-yl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
    • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1&reg
    • sophoraflavoside IV
    • 147666-63-5
    • beta-D-Glucopyranosiduronic acid, (3beta,4beta,20alpha,22beta)-20-carboxy-22-((2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
    • 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-tr
    • 3-O-alpha-L-Rhamnopyranosyl- (1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranoside
    • 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
    • b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI)
    • Inchi： 1S/C59H94O29/c1-22-32(64)36(68)41(73)49(80-22)87-45-38(70)35(67)27(19-61)82-51(45)88-46-40(72)39(71)42(47(74)75)86-52(46)83-30-11-12-56(4)28(57(30,5)21-62)10-13-59(7)29(56)9-8-23-24-16-54(2,53(77)78)17-31(55(24,3)14-15-58(23,59)6)84-50-44(33(65)25(63)20-79-50)85-43-37(69)34(66)26(18-60)81-48(43)76/h8,22,24-46,48-52,60-73,76H,9-21H2,1-7H3,(H,74,75)(H,77,78)
    • InChI Key： LPBDFSJDRZMMQJ-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(C(=O)O)O1)O)O)OC1C(C(C(C(CO)O1)O)O)OC1C(C(C(C(C)O1)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C)C(CC(C(=O)O)(C)CC5C4=CCC32)OC2C(C(C(CO2)O)O)OC2C(O)OC(CO)C(C2O)O)C1(C)CO

Computed Properties

  • Exact Mass: 1266.588077
  • Monoisotopic Mass: 1266.588077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 29
  • Heavy Atom Count: 88
  • Rotatable Bond Count: 15
  • Complexity: 2520
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 35
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -2.2
  • Topological Polar Surface Area: 470

Experimental Properties

  • Density: 1.56
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.654

b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI) Related Literature

Related Categories

147666-63-5 (b-D-Glucopyranosiduronic acid, (3b,4b,20a,22b)-20-carboxy-22-[(2-O-b-D-glucopyranosyl-a-L-arabinopyranosyl)oxy]-23-hydroxy-30-norolean-12-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)- (9CI)) Related Products

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