Hợp Chất Sd10: Benzyl Β-D-Glucopyranosid

3. PHỔ 13C-NMR


192.78

165.79

133.46

130.04

117.06

49.51

49.34

49.17

49.00

48.83

48.66

48.49

SD04-MeOD-C13CPD


220 200 180 160 140 120 100 80 60 40 20 0 ppm Current Data Parameters NAME 11THAO SD04 EXPNO 2 1


220 200 180 160 140 120 100 80 60 40 20 0 ppm



Current Data Parameters NAME 11THAO_SD04

EXPNO 2

PROCNO 1

F2 - Acquisition Parameters Date_ 20200118

Time 17.30

INSTRUM spect PROBHD 5 mm PABBO BB/

PULPROG zgpg30

TD 65536

SOLVENT MeOD

NS 512

DS 4

SWH 31250.000 Hz

FIDRES 0.476837 Hz

AQ 1.0485760 sec

RG 198.57

DW 16.000 usec

DE 6.50 usec

TE 303.0 K

D1 2.00000000 sec

D11 0.03000000 sec

TD0 1

======== CHANNEL f1 ======== SFO1 125.7864591 MHz NUC1 13C

P1 10.00 usec

PLW1 88.00000000 W

======== CHANNEL f2 ======== SFO2 500.1910008 MHz NUC2 1H

CPDPRG[2 waltz16

PCPD2 80.00 usec

PLW2 22.00000000 W

PLW12 0.35764000 W

PLW13 0.17989001 W

SI SF WDW

SSB


0

32768

125.7724483 MHz

EM

LB


1.00 Hz

GB

0


PC


1.40

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F2 - Processing parameters


192.78

165.79

133.46

130.04

117.06

SD04-MeOD-C13CPD





Current Data Parameters NAME 11THAO_SD04

EXPNO 2

PROCNO 1

F2 - Acquisition Parameters Date_ 20200118

Time 17.30

INSTRUM spect PROBHD 5 mm PABBO BB/

PULPROG zgpg30

TD 65536

SOLVENT MeOD

NS 512

DS 4

SWH 31250.000 Hz

FIDRES 0.476837 Hz

AQ 1.0485760 sec

RG 198.57

DW 16.000 usec

DE 6.50 usec

TE 303.0 K

D1 2.00000000 sec

D11 0.03000000 sec

TD0 1

CHANNEL f1 SFO1 125 7864591 MHz NUC1 13C P1 10 00 usec PLW1 88 00000000 W CHANNEL f2 SFO2 500 10

======== CHANNEL f1 ======== SFO1 125.7864591 MHz NUC1 13C

P1 10.00 usec

PLW1 88.00000000 W

======== CHANNEL f2 ======== SFO2 500.1910008 MHz NUC2 1H

CPDPRG[2 waltz16

PCPD2 80.00 usec

PLW2 22.00000000 W

PLW12 0.35764000 W

PLW13 0.17989001 W

SI SF WDW

SSB


0

32768

125.7724483 MHz

EM

LB


1.00 Hz

GB

0


PC


1.40

F2 - Processing parameters


195 190

185

180

175

170

165

160

155

150

145

140

135

130

125

120

ppm

4. PHỔ DEPT



DEPT90

SD04-MeOD-C13CPD&DEPT



210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm DEPT135 CH CH3 CH2 12


210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

DEPT135


CH CH3 CH2 210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm C13CPD 14

CH&CH3 CH2


210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm C13CPD 210 200 190 16

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

C13CPD


210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm



DEPT90


SD04-MeOD-C13CPD&DEPT



195 DEPT135 190 185 180 175 170 165 160 155 150 145 140 135 130 125 120 115 ppm CH CH3 CH2 195 18


195

DEPT135

190

185

180

175

170

165

160

155

150

145

140

135

130

125

120

115

ppm


CH CH3 CH2 195 C13CPD 190 185 180 175 170 165 160 155 150 145 140 135 130 125 120 115 ppm 195 190 20

CH&CH3 CH2


195

C13CPD

190

185

180

175

170

165

160

155

150

145

140

135

130

125

120

115

ppm


195 190 185 180 175 170 165 160 155 150 145 140 135 130 125 120 115 ppm Phụ lục 3 10 Hợp 22


195 190

185

180

175

170

165

160

155

150

145

140

135

130

125

120

115

ppm


Phụ lục 3.10. Hợp chất SD10: benzyl β-D-glucopyranosid

CTPT: C13H18O6 M = 270

Bột vô định hình màu trắng


MS

1H-NMR (500 MHz, CD3OD)

13C-NMR (125 MHz, CD3OD)

HMBC HSQC


1. PHỔ MS


Display Report - Selected Window Selected Analysis


Analysis Name:


SD13.d Instrument: LC-MSD-Trap-SL


Print Date: 5/20/2020 11:54:33 AM

Method: Sample Name:

Quang_2020.m SD13

Operator:

2195410AE0000514

Acq. Date: 5/20/2020 11:52:40 AM

Analysis Info: Column Eclipse XDB-C18, 4.6 x150mm

MSD Trap Report v 4 A4 Opt2 Page 1 of 1 13 7 4 2 06 7 3 2 03 7 2 ppm 5 1 5 0 4 9 1 00 4 8 4 7 4 6 4 24


MSD Trap Report v 4 (A4-Opt2)

Page 1 of 1



13 7 4 2 06 7 3 2 03 7 2 ppm 5 1 5 0 4 9 1 00 4 8 4 7 4 6 4 5 4 4 4 3 1 18 1 09 4 2 4 1 4 0 3 9 1 25

13

7.4

2.06


7.3

2.03


7.2 ppm

5.1 5.0 4.9

1.00


4.8 4.7 4.6 4.5 4.4 4.3

1.18



1.09


4.2

4.1 4.0 3.9

1.13


3.8 3.7 3.6

1.55


3.5 3.4

1.43



3.3

1.72

3.2

ppm

4.14


11

10

9

4.936

4.913


4.798


4.675

4.651


4.364

4.348


3.908

3.903

3.884

3.879


3.710

3.698

3.686

3.675


3.353

3.345

3.335

3.328

3.309

3.306

3.303

3.293

3.281

3.278

3.272

3.266

3.257

3.239

7.423

7.421

7.406

7.337

7.335

7.332

7.321

7.318

7.308

7.306

7.278

7.276

7.273

7.266

7.261

7.257

7.249

2. PHỔ 1H-NMR

SD13-MeOD-1H

PL-76

7.247


8 2 06 2 03 7 6 1 00 5 1 18 1 09 1 13 4 1 55 1 43 1 72 3 2 1 0 1 4 14 12 7 423 7 421 7 406 7 337 7 42

8

2.06

2.03

7

6

1.00


5

1.18

1.09

1.13

4

1.55

1.43

1.72

3

2

1

0

-1

4.14


12

7.423

7.421

7.406

7.337

7.335

7.332

7.321

7.318

7.308

7.306

7.278

7.276

7.273

7.266

7.261

7.257

7.249

SD13-MeOD-1H

7.247

4 936 4 913 4 798 4 675 4 651 4 364 4 348 3 908 3 903 3 884 3 879 3 710 3 698 3 686 3 675 3 353 3 47

4.936

4.913

4.798

4.675

4.651

4.364

4.348

3.908

3.903

3.884

3.879

3.710

3.698

3.686

3.675

3.353

3.345

3.335

3.328

3.309

3.306

3.303

3.293

3.281

3.278

3.272

3.266

3.257

3.239

Current Data Parameters NAME 11THAO SD13 EXPNO PROCNO 10 1 F2 Acquisition Parameters Date Time 48

Current Data Parameters NAME 11THAO_SD13

EXPNO PROCNO

10

1

F2 - Acquisition Parameters

Date_ Time INSTRUM PROBHD PULPROG TD SOLVENT NS

DS SWH

FIDRES AQ

RG DW DE TE D1 TD0

20200319

16.47

spect

5 mm PABBO BB/

zg30 65536 MeOD 16

2

10000.000 Hz

0.152588 Hz

3.2767999 sec

64.21

50.000 usec

6.50 usec

303.0 K 1.00000000 sec

1

======== CHANNEL f1 ======== SFO1 500.1920889 MHz

NUC1 P1 PLW1

1H

10.20 usec 22.00000000 W

F2 - Processing parameters

SI SF WDW SSB LB GB PC

65536

500.1890118 MHz

EM

0.30 Hz 1.00

0

0

ppm

-0.000


3 PHỔ 13 C NMR 139 05 129 25 129 17 128 66 103 28 78 08 77 98 75 12 71 74 71 69 62 81 49 62 49 50 49

3. PHỔ 13C-NMR


139.05

129.25

129.17

128.66

103.28

78.08

77.98

75.12

71.74

71.69

62.81

49.62

49.50

49.33

49.16

48.99

48.82

48.65

48.48

SD13-MeOD-C13CPD


220 200 180 160 140 120 100 80 60 40 20 0 ppm Current Data Parameters NAME 11THAO SD13 EXPNO 2 50


220 200 180 160 140 120 100 80 60 40 20 0 ppm



Current Data Parameters NAME 11THAO_SD13

EXPNO 2

PROCNO 1

F2 - Acquisition Parameters Date_ 20200326

Time 19.30

INSTRUM spect PROBHD 5 mm PABBO BB/

PULPROG zgpg30

TD 65536

SOLVENT MeOD

NS 256

DS 4

SWH 31250.000 Hz

FIDRES 0.476837 Hz

AQ 1.0485760 sec

RG 198.57

DW 16.000 usec

DE 6.50 usec

TE 304.1 K

D1 2.00000000 sec

D11 0.03000000 sec

TD0 1

======== CHANNEL f1 ======== SFO1 125.7864591 MHz NUC1 13C

P1 10.00 usec

PLW1 88.00000000 W

======== CHANNEL f2 ======== SFO2 500.1910008 MHz NUC2 1H

CPDPRG[2 waltz16

PCPD2 80.00 usec

PLW2 22.00000000 W

PLW12 0.35764000 W

PLW13 0.17989001 W

SI SF WDW

SSB


0

32768

125.7724534 MHz

EM

LB


1.00 Hz

GB

0


PC


1.40

F2 - Processing parameters


139.05

129.25

129.17

128.66

103.28

78.08

77.98

75.12

71.74

71.69

62.81

SD13-MeOD-C13CPD



140 135 130 125 120 115 110 105 100 95 90 85 80 75 70 65 ppm PL 77 SD13 MeOD HMBC SD13 MeOD HMBC 61


140 135

130

125

120

115

110

105

100 95 90

85 80 75 70 65

ppm


PL-77


SD13 MeOD HMBC SD13 MeOD HMBC ppm 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 63

SD13-MeOD-HMBC

SD13-MeOD-HMBC


ppm 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 120 125 130 135 140 145 150 ppm 70 75 80 85 90 64

ppm 45


50


55


60


65


70


75


80


85


90


95


100


105


110


115


120


125


130


135


140


145


150


ppm 70


75


80


85


90


95


100


105


110


115


120


125


130


135


140


4. PHỔ HMBC

PL-78

7.5 7.0

6.5

6.0

5.5

5.0

4.5

4.0

3.5

ppm

7.45

7.40

7.35

7.30

7.25

ppm


PL 79 SD13 MeOD HMBC ppm 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 SD13 MeOD 65

PL-79

SD13-MeOD-HMBC


ppm 126


127


128


129


130


131


132


133


134


135


136


137


138


139


140


141

SD13-MeOD-HMBC


ppm


65


70


75


80


85


90


95


100


105


5.0 4.9


4.8


4.7


ppm


5 0 4 8 4 6 4 4 4 2 4 0 3 8 3 6 3 4 3 2 3 0 ppm SD13 MeOD HSQC ppm 40 45 50 55 60 65 70 75 80 85 90 66

5.0


4.8


4.6


4.4


4.2


4.0


3.8


3.6


3.4


3.2


3.0


ppm


SD13-MeOD-HSQC


ppm 40

45


50


55


60


65


70


75


80


85


90


95


100


105


110


115


120


125


130


135

SD13-MeOD-HSQC


ppm


127.5


128.0


128.5


129.0


129.5


130.0


130.5


7.5 7.0


6.5


6.0


5.5


5.0


4.5


4.0


3.5


3.0


5. PHỔ HSQC

PL-80

140

ppm 7 45 7 40 7 35 7 30 7 25 ppm 67

ppm


7 45 7 40 7 35 7 30 7 25 ppm 68

7.45


7.40


7.35


7.30


7.25


ppm

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