CAS No.: 50270-86-5 — Maltoundecose (麦芽十一糖)

1. Primary Information

English name:	Maltoundecose
CAS No.:	50270-86-5
Molecular formula:	C₆₆H₁₁₂O₅₆
Molecular weight:	1801.6 g/mol
SMILES:	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)OC1C(OC(C(C1O)O)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥95%	4000	2-8℃	in stock	-
Kehua Intelligence	10mg	HPLC≥95%	6400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChI

InChI=1S/C66H112O56/c67-1-12-23(78)24(79)36(91)57(103-12)114-47-14(3-69)105-59(38(93)26(47)81)116-49-16(5-71)107-61(40(95)28(49)83)118-51-18(7-73)109-63(42(97)30(51)85)120-53-20(9-75)111-65(44(99)32(53)87)122-55-22(11-77)112-66(45(100)34(55)89)121-54-21(10-76)110-64(43(98)33(54)88)119-52-19(8-74)108-62(41(96)31(52)86)117-50-17(6-72)106-60(39(94)29(50)84)115-48-15(4-70)104-58(37(92)27(48)82)113-46-13(2-68)102-56(101)35(90)25(46)80/h12-101H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1

4.3 InChIKey

DZIFDDFXDDGQOX-FLCYYJKHSA-N

4.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(C(C1O)O)OC1C(OC(C(C1O)O)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

4.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 122 132 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 26.8468 14.5 0 0
M  V30 2 C 26.8468 13.5 0 0
M  V30 3 C 27.7128 13 0 0
M  V30 4 C 27.7128 12 0 0
M  V30 5 C 26.8468 11.5 0 0
M  V30 6 C 25.9808 12 0 0
M  V30 7 O 25.9808 13 0 0
M  V30 8 O 25.1147 11.5 0 0
M  V30 9 C 24.2487 12 0 0
M  V30 10 C 23.3827 11.5 0 0
M  V30 11 O 22.5167 12 0 0
M  V30 12 C 22.5167 13 0 0
M  V30 13 C 23.3827 13.5 0 0
M  V30 14 C 24.2487 13 0 0
M  V30 15 O 25.1147 13.5 0 0
M  V30 16 O 23.3827 14.5 0 0
M  V30 17 O 21.6506 13.5 0 0
M  V30 18 C 20.7846 13 0 0
M  V30 19 C 19.9186 13.5 0 0
M  V30 20 O 19.0526 13 0 0
M  V30 21 C 19.0526 12 0 0
M  V30 22 C 19.9186 11.5 0 0
M  V30 23 C 20.7846 12 0 0
M  V30 24 O 21.6506 11.5 0 0
M  V30 25 O 19.9186 10.5 0 0
M  V30 26 O 18.1865 11.5 0 0
M  V30 27 C 17.3205 12 0 0
M  V30 28 C 16.4545 11.5 0 0
M  V30 29 O 15.5885 12 0 0
M  V30 30 C 15.5885 13 0 0
M  V30 31 C 16.4545 13.5 0 0
M  V30 32 C 17.3205 13 0 0
M  V30 33 O 18.1865 13.5 0 0
M  V30 34 O 16.4545 14.5 0 0
M  V30 35 O 14.7224 13.5 0 0
M  V30 36 C 13.8564 13 0 0
M  V30 37 C 13.8564 12 0 0
M  V30 38 O 12.9904 11.5 0 0
M  V30 39 C 12.1244 12 0 0
M  V30 40 C 12.1244 13 0 0
M  V30 41 C 12.9904 13.5 0 0
M  V30 42 O 12.9904 14.5 0 0
M  V30 43 O 11.2583 13.5 0 0
M  V30 44 O 11.2583 11.5 0 0
M  V30 45 C 11.2583 10.5 0 0
M  V30 46 C 10.3923 10 0 0
M  V30 47 O 10.3923 9 0 0
M  V30 48 C 11.2583 8.5 0 0
M  V30 49 C 12.1244 9 0 0
M  V30 50 C 12.1244 10 0 0
M  V30 51 O 12.9904 10.5 0 0
M  V30 52 O 12.9904 8.5 0 0
M  V30 53 O 11.2583 7.5 0 0
M  V30 54 C 10.3923 7 0 0
M  V30 55 C 9.52628 7.5 0 0
M  V30 56 O 8.66025 7 0 0
M  V30 57 C 8.66025 6 0 0
M  V30 58 C 9.52628 5.5 0 0
M  V30 59 C 10.3923 6 0 0
M  V30 60 O 11.2583 5.5 0 0
M  V30 61 O 9.52628 4.5 0 0
M  V30 62 O 7.79423 5.5 0 0
M  V30 63 C 6.9282 6 0 0
M  V30 64 C 6.06218 5.5 0 0
M  V30 65 O 5.19615 6 0 0
M  V30 66 C 5.19615 7 0 0
M  V30 67 C 6.06218 7.5 0 0
M  V30 68 C 6.9282 7 0 0
M  V30 69 O 7.79423 7.5 0 0
M  V30 70 O 6.06218 8.5 0 0
M  V30 71 O 4.33013 7.5 0 0
M  V30 72 C 3.4641 7 0 0
M  V30 73 C 3.4641 6 0 0
M  V30 74 O 2.59808 5.5 0 0
M  V30 75 C 1.73205 6 0 0
M  V30 76 C 1.73205 7 0 0
M  V30 77 C 2.59808 7.5 0 0
M  V30 78 O 2.59808 8.5 0 0
M  V30 79 O 0.866025 7.5 0 0
M  V30 80 O 0.866025 5.5 0 0
M  V30 81 C 0.866025 4.5 0 0
M  V30 82 C 5.9952e-14 4 0 0
M  V30 83 O 4.61853e-14 3 0 0
M  V30 84 C 0.866025 2.5 0 0
M  V30 85 C 1.73205 3 0 0
M  V30 86 C 1.73205 4 0 0
M  V30 87 O 2.59808 4.5 0 0
M  V30 88 O 2.59808 2.5 0 0
M  V30 89 O 0.866025 1.5 0 0
M  V30 90 C 1.39888e-14 1 0 0
M  V30 91 C -0.866025 1.5 0 0
M  V30 92 O -1.73205 1 0 0
M  V30 93 C -1.73205 3.31957e-14 0 0
M  V30 94 C -0.866025 -0.5 0 0
M  V30 95 C 0 -0 0 0
M  V30 96 O 0.866025 -0.5 0 0
M  V30 97 O -0.866025 -1.5 0 0
M  V30 98 O -2.59808 -0.5 0 0
M  V30 99 C -0.866025 2.5 0 0
M  V30 100 O -1.73205 3 0 0
M  V30 101 C -0.866025 4.5 0 0
M  V30 102 O -1.73205 4 0 0
M  V30 103 C 4.33013 5.5 0 0
M  V30 104 O 4.33013 4.5 0 0
M  V30 105 C 6.06218 4.5 0 0
M  V30 106 O 5.19615 4 0 0
M  V30 107 C 9.52628 8.5 0 0
M  V30 108 O 8.66025 9 0 0
M  V30 109 C 9.52628 10.5 0 0
M  V30 110 O 8.66025 10 0 0
M  V30 111 C 14.7224 11.5 0 0
M  V30 112 O 14.7224 10.5 0 0
M  V30 113 C 16.4545 10.5 0 0
M  V30 114 O 15.5885 10 0 0
M  V30 115 C 19.9186 14.5 0 0
M  V30 116 O 19.0526 15 0 0
M  V30 117 C 23.3827 10.5 0 0
M  V30 118 O 24.2487 10 0 0
M  V30 119 O 26.8468 10.5 0 0
M  V30 120 O 28.5788 11.5 0 0
M  V30 121 O 28.5788 13.5 0 0
M  V30 122 O 27.7128 15 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 122
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 121
M  V30 7 1 4 5
M  V30 8 1 4 120
M  V30 9 1 5 6
M  V30 10 1 5 119
M  V30 11 1 6 7
M  V30 12 1 6 8
M  V30 13 1 8 9
M  V30 14 1 9 14
M  V30 15 1 9 10
M  V30 16 1 10 11
M  V30 17 1 10 117
M  V30 18 1 11 12
M  V30 19 1 12 13
M  V30 20 1 12 17
M  V30 21 1 13 14
M  V30 22 1 13 16
M  V30 23 1 14 15
M  V30 24 1 17 18
M  V30 25 1 18 23
M  V30 26 1 18 19
M  V30 27 1 19 20
M  V30 28 1 19 115
M  V30 29 1 20 21
M  V30 30 1 21 22
M  V30 31 1 21 26
M  V30 32 1 22 23
M  V30 33 1 22 25
M  V30 34 1 23 24
M  V30 35 1 26 27
M  V30 36 1 27 32
M  V30 37 1 27 28
M  V30 38 1 28 29
M  V30 39 1 28 113
M  V30 40 1 29 30
M  V30 41 1 30 31
M  V30 42 1 30 35
M  V30 43 1 31 32
M  V30 44 1 31 34
M  V30 45 1 32 33
M  V30 46 1 35 36
M  V30 47 1 36 41
M  V30 48 1 36 37
M  V30 49 1 37 38
M  V30 50 1 37 111
M  V30 51 1 38 39
M  V30 52 1 39 40
M  V30 53 1 39 44
M  V30 54 1 40 41
M  V30 55 1 40 43
M  V30 56 1 41 42
M  V30 57 1 44 45
M  V30 58 1 45 50
M  V30 59 1 45 46
M  V30 60 1 46 47
M  V30 61 1 46 109
M  V30 62 1 47 48
M  V30 63 1 48 49
M  V30 64 1 48 53
M  V30 65 1 49 50
M  V30 66 1 49 52
M  V30 67 1 50 51
M  V30 68 1 53 54
M  V30 69 1 54 59
M  V30 70 1 54 55
M  V30 71 1 55 56
M  V30 72 1 55 107
M  V30 73 1 56 57
M  V30 74 1 57 58
M  V30 75 1 57 62
M  V30 76 1 58 59
M  V30 77 1 58 61
M  V30 78 1 59 60
M  V30 79 1 62 63
M  V30 80 1 63 68
M  V30 81 1 63 64
M  V30 82 1 64 65
M  V30 83 1 64 105
M  V30 84 1 65 66
M  V30 85 1 66 67
M  V30 86 1 66 71
M  V30 87 1 67 68
M  V30 88 1 67 70
M  V30 89 1 68 69
M  V30 90 1 71 72
M  V30 91 1 72 77
M  V30 92 1 72 73
M  V30 93 1 73 74
M  V30 94 1 73 103
M  V30 95 1 74 75
M  V30 96 1 75 76
M  V30 97 1 75 80
M  V30 98 1 76 77
M  V30 99 1 76 79
M  V30 100 1 77 78
M  V30 101 1 80 81
M  V30 102 1 81 86
M  V30 103 1 81 82
M  V30 104 1 82 83
M  V30 105 1 82 101
M  V30 106 1 83 84
M  V30 107 1 84 85
M  V30 108 1 84 89
M  V30 109 1 85 86
M  V30 110 1 85 88
M  V30 111 1 86 87
M  V30 112 1 89 90
M  V30 113 1 90 95
M  V30 114 1 90 91
M  V30 115 1 91 92
M  V30 116 1 91 99
M  V30 117 1 92 93
M  V30 118 1 93 94
M  V30 119 1 93 98
M  V30 120 1 94 95
M  V30 121 1 94 97
M  V30 122 1 95 96
M  V30 123 1 99 100
M  V30 124 1 101 102
M  V30 125 1 103 104
M  V30 126 1 105 106
M  V30 127 1 107 108
M  V30 128 1 109 110
M  V30 129 1 111 112
M  V30 130 1 113 114
M  V30 131 1 115 116
M  V30 132 1 117 118
M  V30 END BOND
M  V30 END CTAB
M  END

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)