Cas no 121903-99-9 (b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI))

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI) structure
121903-99-9 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI)
CAS No:121903-99-9
MF:C46H70O14
MW:847.039616107941
CID:189471
PubChem ID:14683206
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI)
    • b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-
    • (+)-Gymnemic acid V
    • b-D-Glucopyranosiduronic acid, [3b,4a,16b,21b(E),22a(E)]-16,23,28-trihydroxy-21,22-bis[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl
    • Gymnemic acid V
    • Oleanane, b-D-glucopyranosiduronic acidderiv.
    • S2WOT0EOOX
    • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,23,28-trihydroxy-21,22-bis(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl
    • 121903-99-9
    • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,23,28-TRIHYDROXY-21,22-BIS(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL
    • Gymnemic acid V, (+)-
    • Q27288505
    • GYMNEMIC ACID V (CONSTITUENT OF GYMNEMA) [DSC]
    • UNII-S2WOT0EOOX
    • Inchi： 1S/C46H70O14/c1-11-23(3)38(55)59-35-36(60-39(56)24(4)12-2)46(22-48)26(19-41(35,5)6)25-13-14-28-42(7)17-16-30(57-40-33(52)31(50)32(51)34(58-40)37(53)54)43(8,21-47)27(42)15-18-44(28,9)45(25,10)20-29(46)49/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54)/b23-11+,24-12+/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,40+,42-,43-,44+,45+,46-/m0/s1
    • InChI Key： HCTZEWPNCZGSAE-ZIDNNZLZSA-N
    • SMILES： O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O)[C@@H]2CC(C)(C)[C@H]([C@@H]([C@@]21CO)OC(/C(=C/C)/C)=O)OC(/C(=C/C)/C)=O

Computed Properties

  • Exact Mass: 846.47655690g/mol
  • Monoisotopic Mass: 846.47655690g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 11
  • Complexity: 1790
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 230?2

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI) Related Literature

Related Categories

121903-99-9 (b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,23,28-trihydroxy-21,22-bis[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI)) Related Products

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