Cas no 134885-72-6 (dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c)

dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c structure
134885-72-6 structure
Product Name:dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c
CAS No:134885-72-6
MF:C42H59Li2NaO16
MW:856.780045747757
CID:1237108
PubChem ID:3077621
Update Time:2025-04-20

dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c Chemical and Physical Properties

Names and Identifiers

    • dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c
    • LogP
    • dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-
    • dilithium,sodium,6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxa
    • Sodium-dilithium salt of beta-glycyrrhizic acid
    • Lithium sodium 2-[(4-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate (2/1/1)
    • DTXSID80928798
    • beta-Glycyrrhizic acid sodium dilithium salt
    • beta-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-, dilithium monosodium salt
    • 134885-72-6
    • Inchi： 1S/C42H62O16.2Li.Na/c1-37(2)15-18(55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50)16-40(5)22(37)8-9-42(7)31(40)21(43)14-19-20-17-39(4,36(53)54)11-10-38(20,3)12-13-41(19,42)6;;;/h14,18,20,22-31,34-35,44-48H,8-13,15-17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;/q;3*+1/p-3
    • InChI Key： VCJKVVFWWXWYAG-UHFFFAOYSA-K
    • SMILES： [Na+].O(C1C(C(C(C(C(=O)[O-])O1)OC1C(C(C(C(C(=O)[O-])O1)O)O)O)O)O)C1CC(C)(C)C2CCC3(C)C4(C)CCC5(C)CCC(C(=O)[O-])(C)CC5C4=CC(C3C2(C)C1)=O.[Li+].[Li+]

Computed Properties

  • Exact Mass: 854.40041
  • Monoisotopic Mass: 856.4020869g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 4
  • Complexity: 1710
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 276?2

Experimental Properties

  • PSA: 275.53

dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c Related Literature

134885-72-6 (dilithium sodium 6-({2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-2-yl)oxy]-4,5-dihydroxytetrahydro-2H-pyran-3-yl}oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-c) Related Products

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