Cas no 104191-95-9 (a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-)

a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- structure
104191-95-9 structure
Product Name:a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
CAS No:104191-95-9
MF:C43H62O16
MW:834.942795276642
CID:208394
PubChem ID:76961045
Update Time:2025-04-19

a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
    • (2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-methoxycarbonyl-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-3-yl]oxy]
    • a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopy...
    • (3beta)-30-methoxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-galactopyranuronosyl-alpha-D-glucopyranosiduronic acid
    • glycyrrhizic acid methyl ester
    • METHYL GLYCYRRHIZATE
    • DTXSID801021582
    • (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-methoxycarbonyl-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-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
    • 104191-95-9
    • GAMME
    • A4TET7070S
    • UNII-A4TET7070S
    • .ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-29-METHOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
    • METHYL GLYCYRRHIZATE [INCI]
    • GLYCYRRHIZIC ACID, METHYL ESTER
    • Q27273634
    • ALPHA-D-GLUCOPYRANOSIDURONIC ACID, (3BETA,20BETA)-29-METHOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-BETA-D-GLUCOPYRANURONOSYL-
    • DA-65388
    • Inchi： 1S/C43H64O16/c1-38(2)22-9-12-43(7)32(21(44)17-19-20-18-40(4,37(54)55-8)14-13-39(20,3)15-16-42(19,43)6)41(22,5)11-10-23(38)56-36-31(27(48)26(47)30(58-36)34(52)53)59-35-28(49)24(45)25(46)29(57-35)33(50)51/h17,20,22-32,35-36,45-49H,9-16,18H2,1-8H3,(H,50,51)(H,52,53)/p-2/t20-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36-,39+,40-,41-,42+,43+/m0/s1
    • InChI Key： CAKDFKUXFMLCAR-UIOGXPPZSA-L
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C(=O)OC)(C)C[C@H]5C4=CC([C@@H]32)=O)C1(C)C

Computed Properties

  • Exact Mass: 836.419436
  • Monoisotopic Mass: 836.419436
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 8
  • Complexity: 1750
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 256
  • XLogP3: 5.4

Experimental Properties

  • Color/Form: Solid
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 936.8±65.0 °C at 760 mmHg
  • Flash Point: 274.6±27.8 °C
  • Refractive Index: 1.606
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Security Information

a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Pricemore >>

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a-D-Glucopyranosiduronic acid, (3b,20b)-29-methoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Related Literature

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