CAS号:6082-21-9-麦芽十糖 - Maltodecaose-科华智慧

1. 主信息

英文名:	Maltodecaose
中文名:	麦芽十糖
CAS编号:	6082-21-9
化学分子式：	C₆₀H₁₀₂O₅₁
化学分子量：	1639.4 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)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	HPLC≥98%	6000	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

补充中

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4. 国际命名与标识

4.1 IUPAC Name

2-[6-[6-[6-[6-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[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-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2

4.3 InChlKey

RJQKKZNUWRIHCS-UHFFFAOYSA-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)O)CO)CO)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 111 120 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 25.1147 10.5 0 0
M  V30 2 C 25.1147 9.5 0 0
M  V30 3 C 25.9808 9 0 0
M  V30 4 C 25.9808 8 0 0
M  V30 5 C 25.1147 7.5 0 0
M  V30 6 C 24.2487 8 0 0
M  V30 7 O 24.2487 9 0 0
M  V30 8 O 23.3827 7.5 0 0
M  V30 9 C 22.5167 8 0 0
M  V30 10 C 21.6506 7.5 0 0
M  V30 11 O 20.7846 8 0 0
M  V30 12 C 20.7846 9 0 0
M  V30 13 C 21.6506 9.5 0 0
M  V30 14 C 22.5167 9 0 0
M  V30 15 O 23.3827 9.5 0 0
M  V30 16 O 21.6506 10.5 0 0
M  V30 17 O 19.9186 9.5 0 0
M  V30 18 C 19.0526 9 0 0
M  V30 19 C 18.1865 9.5 0 0
M  V30 20 O 17.3205 9 0 0
M  V30 21 C 17.3205 8 0 0
M  V30 22 C 18.1865 7.5 0 0
M  V30 23 C 19.0526 8 0 0
M  V30 24 O 19.9186 7.5 0 0
M  V30 25 O 18.1865 6.5 0 0
M  V30 26 O 16.4545 7.5 0 0
M  V30 27 C 15.5885 8 0 0
M  V30 28 C 14.7224 7.5 0 0
M  V30 29 O 13.8564 8 0 0
M  V30 30 C 13.8564 9 0 0
M  V30 31 C 14.7224 9.5 0 0
M  V30 32 C 15.5885 9 0 0
M  V30 33 O 16.4545 9.5 0 0
M  V30 34 O 14.7224 10.5 0 0
M  V30 35 O 12.9904 9.5 0 0
M  V30 36 C 12.1244 9 0 0
M  V30 37 C 12.1244 8 0 0
M  V30 38 O 11.2583 7.5 0 0
M  V30 39 C 10.3923 8 0 0
M  V30 40 C 10.3923 9 0 0
M  V30 41 C 11.2583 9.5 0 0
M  V30 42 O 11.2583 10.5 0 0
M  V30 43 O 9.52628 9.5 0 0
M  V30 44 O 9.52628 7.5 0 0
M  V30 45 C 9.52628 6.5 0 0
M  V30 46 C 8.66025 6 0 0
M  V30 47 O 8.66025 5 0 0
M  V30 48 C 9.52628 4.5 0 0
M  V30 49 C 10.3923 5 0 0
M  V30 50 C 10.3923 6 0 0
M  V30 51 O 11.2583 6.5 0 0
M  V30 52 O 11.2583 4.5 0 0
M  V30 53 O 9.52628 3.5 0 0
M  V30 54 C 8.66025 3 0 0
M  V30 55 C 7.79423 3.5 0 0
M  V30 56 O 6.9282 3 0 0
M  V30 57 C 6.9282 2 0 0
M  V30 58 C 7.79423 1.5 0 0
M  V30 59 C 8.66025 2 0 0
M  V30 60 O 9.52628 1.5 0 0
M  V30 61 O 7.79423 0.5 0 0
M  V30 62 O 6.06218 1.5 0 0
M  V30 63 C 5.19615 2 0 0
M  V30 64 C 4.33013 1.5 0 0
M  V30 65 O 3.4641 2 0 0
M  V30 66 C 3.4641 3 0 0
M  V30 67 C 4.33013 3.5 0 0
M  V30 68 C 5.19615 3 0 0
M  V30 69 O 6.06218 3.5 0 0
M  V30 70 O 4.33013 4.5 0 0
M  V30 71 O 2.59808 3.5 0 0
M  V30 72 C 1.73205 3 0 0
M  V30 73 C 1.73205 2 0 0
M  V30 74 O 0.866025 1.5 0 0
M  V30 75 C -7.21645e-15 2 0 0
M  V30 76 C -1.90958e-14 3 0 0
M  V30 77 C 0.866025 3.5 0 0
M  V30 78 O 0.866025 4.5 0 0
M  V30 79 O -0.866025 3.5 0 0
M  V30 80 O -0.866025 1.5 0 0
M  V30 81 C -0.866025 0.5 0 0
M  V30 82 C -1.73205 -4.21885e-15 0 0
M  V30 83 O -1.73205 -1 0 0
M  V30 84 C -0.866025 -1.5 0 0
M  V30 85 C 3.60822e-15 -1 0 0
M  V30 86 C 0 -0 0 0
M  V30 87 O 0.866025 0.5 0 0
M  V30 88 O 0.866025 -1.5 0 0
M  V30 89 O -0.866025 -2.5 0 0
M  V30 90 C -2.59808 0.5 0 0
M  V30 91 O -3.4641 -4.44089e-15 0 0
M  V30 92 C 2.59808 1.5 0 0
M  V30 93 O 2.59808 0.5 0 0
M  V30 94 C 4.33013 0.5 0 0
M  V30 95 O 3.4641 1.31006e-14 0 0
M  V30 96 C 7.79423 4.5 0 0
M  V30 97 O 6.9282 5 0 0
M  V30 98 C 7.79423 6.5 0 0
M  V30 99 O 6.9282 6 0 0
M  V30 100 C 12.9904 7.5 0 0
M  V30 101 O 12.9904 6.5 0 0
M  V30 102 C 14.7224 6.5 0 0
M  V30 103 O 13.8564 6 0 0
M  V30 104 C 18.1865 10.5 0 0
M  V30 105 O 17.3205 11 0 0
M  V30 106 C 21.6506 6.5 0 0
M  V30 107 O 22.5167 6 0 0
M  V30 108 O 25.1147 6.5 0 0
M  V30 109 O 26.8468 7.5 0 0
M  V30 110 O 26.8468 9.5 0 0
M  V30 111 O 25.9808 11 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 111
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 110
M  V30 7 1 4 5
M  V30 8 1 4 109
M  V30 9 1 5 6
M  V30 10 1 5 108
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 10 106
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 19 104
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 28 102
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 37 100
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 98
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 96
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 94
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 92
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 90
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 90 91
M  V30 113 1 92 93
M  V30 114 1 94 95
M  V30 115 1 96 97
M  V30 116 1 98 99
M  V30 117 1 100 101
M  V30 118 1 102 103
M  V30 119 1 104 105
M  V30 120 1 106 107
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型