Rotamer distribution
|
Coupling constants |
Rotamers |
| Compound |
3JH5,H6R |
3JH5,H6S |
2JH6R,H6S |
Pgt |
Pgg |
Ptg |
| α-D-glucopyranose
| 5.80 | 1.00 | |
57 | 48 | -4 |
| penta-O-acetyl-α-D-glucopyranose (CDCl3)
| 4.30 | 2.10 | |
35 | 57 | 8 |
| methyl α-D-glucopyranoside
| 5.40 | 2.30 | |
47 | 44 | 10 |
| methyl α-D-glucopyranoside (DMSO:D2O 19:1)
| 5.90 | 1.50 | |
56 | 43 | 1 |
| methyl α-D-glucopyranoside (DMSO)
| 6.10 | 1.00 | |
60 | 44 | -4 |
| methyl tetra-O-acetyl-α-D-glucopyranoside (C6D6)
| 4.60 | 2.40 | |
37 | 52 | 11 |
| methyl tetra-O-benzoyl-α-D-glucopyranoside (CDCl3)
| 5.10 | 2.90 | |
41 | 43 | 16 |
| methyl tetra-O-benzoyl-α-D-glucopyranoside (C6D6:CDCl3 1:1)
| 5.00 | 2.90 | |
40 | 44 | 16 |
| β-D-glucopyranose
| 6.00 | 2.10 | |
54 | 39 | 7 |
| methyl β-D-glucopyranoside
| 5.80 | 2.00 | 12.30 |
52 | 41 | 6 |
| α-D-mannopyranose
| 5.80 | 2.00 | |
52 | 41 | 6 |
| methyl α-D-mannopyranoside
| 6.00 | 2.00 | |
55 | 39 | 6 |
| methyl α-D-mannopyranoside
| 5.60 | 1.70 | 12.00 |
51 | 45 | 3 |
| methyl tetra-O-acetyl-α-D-mannopyranoside (CDCl3)
| 5.40 | 2.20 | |
47 | 44 | 8 |
| methyl tetra-O-acetyl-α-D-mannopyranoside (CDCl3)
| 4.50 | 2.40 | 12.20 |
36 | 53 | 11 |
| methyl tetra-O-benzoyl-α-D-mannopyranoside (CDCl3)
| 4.60 | 2.70 | |
36 | 50 | 14 |
| β-D-mannopyranose
| 6.40 | 2.30 | |
58 | 33 | 9 |
| methyl β-D-mannopyranoside
| 6.60 | 2.30 | |
60 | 31 | 9 |
| penta-O-acetyl-α-D-galactopyranose (CDCl3)
| 6.40 | 6.40 | |
40 | 7 | 53 |
| methyl α-D-galactopyranoside
| 7.80 | 6.00 | |
57 | -6 | 48 |
| methyl tetra-O-benzoyl-α-D-galactopyranoside (C6D6:CDCl3 1:1)
| 7.10 | 5.70 | |
51 | 4 | 45 |
| methyl β-D-galactopyranoside
| 8.00 | 4.30 | 11.50 |
67 | 3 | 30 |
| methyl tetra-O-acetyl-β-D-galactopyranoside (CDCl3)
| 7.20 | 6.50 | 11.50 |
48 | -2 | 54 |
| bDGlc(1->3)bDGlc (red)
| 5.00 | 2.00 | 12.00 |
44 | 50 | 6 |
| bDGlc(1->3)bDGlc (nonred)
| 5.40 | 2.00 | 12.00 |
48 | 46 | 6 |
| bDGlc(1->3)bDGlc (per OAc, red, CDCl3)
| 4.20 | 1.60 | 12.20 |
36 | 61 | 2 |
| bDGlc(1->3)bDGlc (per OAc, nonred, CDCl3)
| 4.80 | 2.20 | 12.30 |
40 | 51 | 9 |
| aDGlc(1->4)bDGlc (red)
| 5.00 | 2.00 | 12.00 |
44 | 50 | 6 |
| aDGlc(1->4)bDGlc (nonred)
| 5.00 | 2.00 | 12.00 |
44 | 50 | 6 |
| aDGlc(1->4)bDGlcOMe (red)
| 5.00 | 1.80 | 12.00 |
44 | 51 | 4 |
| aDGlc(1->4)bDGlcOpClPh (per OAc, red, CDCl3)
| 5.10 | 2.00 | 12.00 |
45 | 49 | 6 |
| aDGlc(1->4)bDGlcOpClPh (per OAc, nonred, CDCl3)
| 4.60 | 2.00 | 12.00 |
39 | 54 | 7 |
| bDGlc(1->4)bDGlc (red)
| 5.60 | 2.00 | 12.00 |
50 | 44 | 6 |
| bDGlc(1->4)bDGlc (nonred)
| 4.40 | 2.00 | 12.00 |
37 | 57 | 7 |
| bDGlc(1->4)bDGlcOoClPh (per OAc, red, CDCl3)
| 5.60 | 1.50 | 12.00 |
52 | 47 | 1 |
| bDGlc(1->4)bDGlcOoClPh (per OAc, nonred, CDCl3)
| 4.40 | 1.60 | 12.40 |
39 | 59 | 2 |
| aDGlc(1->6)aDGlc (red)
| 4.30 | 1.80 | |
37 | 59 | 4 |
| aDGlc(1->6)aDGlc (per OAc, red, CDCl3)
| 5.80 | 2.30 | |
51 | 39 | 9 |
| aDGlc(1->6)aDGlc (per OBz, red, CDCl3)
| 6.40 | 2.00 | |
59 | 35 | 6 |
| aDGlc(1->6)bDGlc (red)
| 4.00 | 2.00 | 11.40 |
32 | 61 | 7 |
| aDGlc(1->6)bDGlc (nonred)
| 4.80 | 2.00 | 12.00 |
41 | 52 | 6 |
| aDGlc(1->6)bDGlc (per OAc, red, CDCl3)
| 4.10 | 2.90 | 11.30 |
30 | 54 | 16 |
| aDGlc(1->6)bDGlc (per OAc, nonred, CDCl3)
| 4.50 | 2.10 | 12.40 |
38 | 55 | 8 |
| bDGlc(1->6)aDGlc (red)
| 5.70 | 2.00 | |
51 | 42 | 6 |
| bDGlc(1->6)aDGlc (per OAc, red, CDCl3)
| 7.30 | 1.80 | |
70 | 26 | 4 |
| bDGlc(1->6)aDGlc (per OBz, red, CDCl3)
| 8.20 | 1.90 | |
79 | 16 | 5 |
| aDGlc(1->6)bDGlcOMe (red)
| 4.30 | 1.80 | 11.00 |
37 | 59 | 4 |
| aDMan(1->6)bDManOMe (red)
| 5.60 | 1.90 | |
51 | 44 | 5 |
| bDMan(1->6)bDManOMe (red)
| 5.80 | 1.90 | |
53 | 42 | 5 |
| aDGal(1->6)aDGal (red)
| 7.40 | 4.90 | |
58 | 6 | 37 |
| aDGal(1->6)aDGal (per OAc, red, CDCl3)
| 6.20 | 6.20 | |
39 | 11 | 51 |
| aDGal(1->6)aDGal (per OBz, red, CDCl3)
| 7.70 | 3.90 | |
65 | 9 | 26 |
| bDGal(1->6)aDGal (red)
| 8.20 | 4.30 | |
69 | 1 | 30 |
| bDGal(1->6)aDGal (per OAc, red, CDCl3)
| 7.70 | 3.70 | |
66 | 10 | 24 |
| bDGal(1->6)aDGal (per OBz, red, CDCl3)
| 8.20 | 3.80 | |
71 | 4 | 25 |
| aDGlc(1->6)[aDGlc(1->4)]bDGlcOMe
| 5.20 | 1.80 | |
47 | 49 | 4 |
| aDGlc(1->6)[aDGlc(1->4)]bDGlcOMe
| 5.80 | 2.20 | 11.60 |
52 | 40 | 8 |
| aDGlc(1->6)[aDGlc(1->4)]bDGlcOMe (per OAc, CDCl3)
| 4.50 | 2.10 | |
38 | 55 | 8 |
| aDGlc(1->6)[aDGlc(1->4)]bDGlcOMe (per OBz, CDCl3)
| 5.60 | 1.80 | |
51 | 45 | 4 |
| bDGlc(1->6)[aDGlc(1->4)]bDGlcOMe
| 5.40 | 1.80 | |
49 | 47 | 4 |
| bDGlc(1->6)[aDGlc(1->4)]bDGlcOMe (per OAc, CDCl3)
| 6.20 | 2.00 | |
57 | 37 | 6 |
| bDGlc(1->6)[aDGlc(1->4)]bDGlcOMe (per OBz, CDCl3)
| 6.70 | 1.60 | |
64 | 34 | 2 |
| aDGlc(1->6)[bDGlc(1->4)]bDGlcOMe
| 4.80 | 1.80 | |
42 | 53 | 4 |
| aDGlc(1->6)[bDGlc(1->4)]bDGlcOMe (per OAc, CDCl3)
| 2.90 | 1.60 | |
22 | 75 | 3 |
| aDGlc(1->6)[bDGlc(1->4)]bDGlcOMe (per OBz, CDCl3)
| 3.50 | 1.50 | |
29 | 69 | 1 |
| bDGlc(1->6)[bDGlc(1->4)]bDGlcOMe
| 3.80 | 2.10 | |
30 | 62 | 8 |
| bDGlc(1->6)[bDGlc(1->4)]bDGlcOMe (per OAc, CDCl3)
| 5.70 | 1.80 | |
52 | 44 | 4 |
| bDGlc(1->6)[bDGlc(1->4)]bDGlcOMe (per OBz, CDCl3)
| 4.90 | 1.70 | |
44 | 53 | 3 |
| per-O-acetyl-α-Cyclodextrin (C6D6)
| 4.20 | 2.10 | 12.20 |
34 | 58 | 8 |
| methyl 2-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.80 | 2.20 | 12.00 |
40 | 51 | 9 |
| methyl 3,4,6-tri-O-acetyl-2-O-benzyl-α-D-glucopyranoside (CDCl3)
| 4.40 | 2.00 | 12.40 |
37 | 57 | 7 |
| methyl 2,4,6-tri-O-acetyl-3-O-benzyl-α-D-glucopyranoside (CDCl3)
| 4.80 | 2.40 | 12.40 |
40 | 50 | 11 |
| methyl 4,6-di-O-acetyl-2,3-di-O-benzyl-α-D-glucopyranoside (CDCl3)
| 5.00 | 2.20 | 12.30 |
43 | 49 | 9 |
| methyl 2-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.70 | 3.30 | 11.80 |
35 | 45 | 20 |
| methyl 3,4,6-tri-O-acetyl-2-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.80 | 2.40 | 12.00 |
40 | 50 | 11 |
| methyl 3-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.90 | 3.60 | 11.80 |
36 | 41 | 23 |
| methyl 2,4,6-tri-O-acetyl-3-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.80 | 2.40 | 12.00 |
40 | 50 | 11 |
| methyl 2,3-di-O-benzyl-β-D-glucopyranoside (CDCl3)
| 5.00 | 3.60 | 11.80 |
37 | 40 | 23 |
| methyl 4-O-acetyl-2,3-di-O-benzyl-6-O-trityl-β-D-glucopyranoside (CDCl3)
| 4.90 | 2.10 | 10.30 |
42 | 50 | 8 |
| methyl 4-O-acetyl-β-D-glucopyranoside
| 5.90 | 2.20 | 12.50 |
53 | 39 | 8 |
| methyl 4-O-acetyl-β-D-glucopyranoside (CDCl3)
| 3.60 | 2.10 | 12.50 |
28 | 65 | 8 |
| methyl 4-O-acetyl-6-O-trityl-β-D-glucopyranoside (CDCl3)
| 5.10 | 2.10 | 10.30 |
44 | 48 | 7 |
| methyl 6-O-acetyl-β-D-glucopyranoside
| 4.90 | 2.30 | 12.30 |
41 | 49 | 10 |
| methyl 4,6-di-O-acetyl-β-D-glucopyranoside
| 3.80 | 2.10 | 12.60 |
30 | 62 | 8 |
| methyl 2,3,4-tri-O-acetyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 2.00 | 12.00 |
39 | 54 | 7 |
| methyl 2,3,4-tri-O-acetyl-6-O-benzoyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 3.10 | 12.10 |
34 | 47 | 18 |
| methyl 2,3,4-tri-O-acetyl-6-iodo-β-D-glucopyranoside(CDCl3)
| 6.70 | 2.80 | 12.00 |
59 | 27 | 15 |
| methyl tetra-O-acetyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 2.50 | 12.30 |
37 | 51 | 12 |
| methyl 6-O-acetyl-2,3,4-tri-O-benzoyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 3.10 | 12.20 |
34 | 47 | 18 |
| methyl 2,3,4,6-tetra-O-benzoyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 3.30 | 12.10 |
33 | 46 | 20 |
| methyl 2,3,4,6-tetra-O-o-nitrobenzoyl-β-D-glucopyranoside (CDCl3)
| 4.50 | 2.50 | 12.60 |
36 | 52 | 12 |
| methyl 4,6-di-O-acetyl-2,3-di-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.90 | 2.40 | 12.20 |
41 | 49 | 11 |
| methyl 2,3,4-tri-O-benzyl-β-D-glucopyranoside (CDCl3)
| 4.60 | 2.70 | 12.00 |
36 | 50 | 14 |
| methyl 2,3,4-tri-O-benzyl-6-O-acetyl-β-D-glucopyranoside (CDCl3)
| 4.20 | 1.60 | 12.40 |
36 | 61 | 2 |
| methyl 2,3,4-tri-O-benzyl-6-O-trityl-β-D-glucopyranoside (CDCl3)
| 3.60 | 2.00 | 10.00 |
28 | 65 | 7 |
| methyl 2,4-di-O-benzyl-3,6-di-O-benzoyl-α-D-mannopyranoside (CDCl3)
| 4.40 | 2.00 | |
37 | 57 | 7 |
| methyl 2,4-di-O-benzyl-6-O-TBDMS-α-D-mannopyranoside (CDCl3)
| 5.40 | 1.00 | |
52 | 52 | -4 |
| methyl 3,4,6-tri-O-benzyl-β-D-mannopyranoside (CDCl3)
| 5.40 | 2.00 | |
48 | 46 | 6 |
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