Cas no 139726-36-6 (Tenuifoliside B)

Tenuifoliside B structure
Tenuifoliside B structure
Product Name:Tenuifoliside B
CAS No:139726-36-6
MF:C30H36O17
MW:668.5967
CID:231687
PubChem ID:10055215
Update Time:2024-11-04

Tenuifoliside B Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate)
    • Tenuifoliside B
    • a-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate
    • a-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate) (9CI)
    • a-D-Glucopyranoside,3-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-b-D-fructofuranosyl,6-(4-hydroxybenzoate), (E)-
    • 3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl alpha-D-glucopyranoside 6-(4-hydroxybenzoate)
    • F38VD25Q1W
    • (-)-Tenuifoliside B
    • alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate)
    • alpha-D-Glucopyranoside, 3-O-(3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate), (E)-
    • alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoa
    • HY-N4268
    • D84995
    • MS-31045
    • .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE)
    • UNII-F38VD25Q1W
    • AKOS037515198
    • ((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2S,3S,4R,5R)-4-hydroxy-3-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 4-hydroxybenzoate
    • CS-0032592
    • [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate
    • .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-(3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE), (E)-
    • .ALPHA.-D-GLUCOPYRANOSIDE, 3-O-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-FRUCTOFURANOSYL, 6-(4-HYDROXYBENZOATE)
    • 139726-36-6
    • Q27277574
    • alpha-D-Glucopyranoside, 3-O-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-fructofuranosyl, 6-(4-hydroxybenzoate)
    • ((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2S,3S,4R,5R)-4-hydroxy-3-((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl)oxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxyoxan-2-yl)methyl 4-hydroxybenzoate
    • DA-78319
    • Inchi: 1S/C30H36O17/c1-41-17-9-14(10-18(42-2)22(17)35)3-8-21(34)45-27-24(37)19(11-31)46-30(27,13-32)47-29-26(39)25(38)23(36)20(44-29)12-43-28(40)15-4-6-16(33)7-5-15/h3-10,19-20,23-27,29,31-33,35-39H,11-13H2,1-2H3/b8-3+/t19-,20-,23-,24-,25+,26-,27+,29-,30+/m1/s1
    • InChI Key: HBYKIOIUVMDUIK-GUJRDUPISA-N
    • SMILES: O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]1(C([H])([H])O[H])O[C@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])OC(C2C([H])=C([H])C(=C([H])C=2[H])O[H])=O)O1)O[H])O[H])O[H])OC(/C(/[H])=C(\[H])/C1C([H])=C(C(=C(C=1[H])OC([H])([H])[H])O[H])OC([H])([H])[H])=O)O[H]

Computed Properties

  • Exact Mass: 668.19524968 g/mol
  • Monoisotopic Mass: 668.19524968 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 14
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 261
  • Molecular Weight: 668.6
  • XLogP3: -0.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.61±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 926.1±65.0 °C at 760 mmHg
  • Flash Point: 296.8±27.8 °C
  • Solubility: Almost insoluble (0.074 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

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