Cas no 29836-41-7 (b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl)

b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl structure
29836-41-7 structure
Product Name:b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl
CAS No:29836-41-7
MF:C20H24O10
MW:424.398567199707
CID:262212
PubChem ID:115158
Update Time:2025-04-19

b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl
    • 2-acylsaligenin β-D-glucoside
    • TREMULACINE
    • 2-((((1-Hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl beta-D-glucopyranoside
    • beta-D-Glucopyranoside, 2-((((1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl
    • 2',6'-O-acetylsalicortin
    • [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
    • [2-(Hexopyranosyloxy)phenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
    • NCGC00380452-01_C20H24O10_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(beta-D-glucopyranosyloxy)phenyl]methyl ester
    • SCHEMBL6888986
    • ACon0_001466
    • Q27294530
    • DTXSID70952264
    • beta-D-glucopyranoside, 2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl
    • MEGxp0_000686
    • NCGC00380452-01
    • UNII-YI29948E0Q
    • salicortin
    • YI29948E0Q
    • .BETA.-D-GLUCOPYRANOSIDE, 2-((((1-HYDROXY-6-OXO-2-CYCLOHEXEN-1-YL)CARBONYL)OXY)METHYL)PHENYL
    • 29836-41-7
    • 2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
    • Inchi： 1S/C20H24O10/c21-9-13-15(23)16(24)17(25)18(30-13)29-12-6-2-1-5-11(12)10-28-19(26)20(27)8-4-3-7-14(20)22/h1-2,4-6,8,13,15-18,21,23-25,27H,3,7,9-10H2/t13-,15-,16+,17-,18-,20?/m1/s1
    • InChI Key： CZDNLUMNELLDDD-QZFWYPLZSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=CC=CC=C1COC(C1(C=CCCC1=O)O)=O

Computed Properties

  • Exact Mass: 424.13694696g/mol
  • Monoisotopic Mass: 424.13694696g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 652
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 163?2

b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi

b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl Related Literature

Related Categories

29836-41-7 (b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl) Related Products

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