Cas no 183020-18-0 (b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]-)

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- structure
183020-18-0 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]-
CAS No:183020-18-0
MF:C58H92O25
MW:1189.33610153198
CID:1376634
PubChem ID:102003234
Update Time:2024-03-01

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1&reg
    • 2)-a-L-arabinopyranosyl-(1&reg
    • 3)]- (9CI)
    • b-D-Glucopyranosiduronic acid, [3b,16a,22a(Z)]-16,28-dihydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl O-b-D-galactopyranosyl-(1&reg
    • Camelliasaponin A1
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-g
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1&reg
    • β-D-Glucopyranosiduronic acid, (3β,16α,22α)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
    • DTXSID101316063
    • 183020-18-0
    • b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]-
    • Inchi： 1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-46(83-50-41(70)39(68)37(66)29(21-60)77-50)43(42(71)44(81-52)47(72)73)80-51-45(35(64)27(62)22-75-51)82-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-/t26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,49-,50-,51-,52+,55-,56+,57+,58-/m0/s1
    • InChI Key： KTCJGPRMIOCILW-PHROOHHUSA-N
    • SMILES： O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H](C(C)(C)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)[C@@H]2CC(C)(C)C[C@@H]([C@@]21CO)OC(/C(=C\C)/C)=O

Computed Properties

  • Exact Mass: 1188.59276842g/mol
  • Monoisotopic Mass: 1188.59276842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 83
  • Rotatable Bond Count: 15
  • Complexity: 2390
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 29
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 400?2

b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- Related Literature

Related Categories

183020-18-0 (b-D-Glucopyranosiduronic acid, (3b,16a,22a)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]-) Related Products

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