CAS号:6156-84-9-麦芽八糖 - Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc-科华智慧

1. 主信息

英文名:	Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc
中文名:	麦芽八糖
CAS编号:	6156-84-9
化学分子式：	C₄₈H₈₂O₄₁
化学分子量：	1315.1 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)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O
来源：	-
结构类型：	糖类
其它名称或标识：	maltooctaose

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	10mg	90%	640	点击购买	2-8℃	现货	-
科华智慧	100mg	90%	4640	点击购买	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

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

4.2 InChl

InChI=1S/C48H82O41/c49-1-9-17(57)18(58)27(67)42(76-9)84-35-11(3-51)78-44(29(69)20(35)60)86-37-13(5-53)80-46(31(71)22(37)62)88-39-15(7-55)82-48(33(73)24(39)64)89-40-16(8-56)81-47(32(72)25(40)65)87-38-14(6-54)79-45(30(70)23(38)63)85-36-12(4-52)77-43(28(68)21(36)61)83-34-10(2-50)75-41(74)26(66)19(34)59/h9-74H,1-8H2/t9-,10-,11-,12-,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-/m1/s1

4.3 InChlKey

RUJILUJOOCOSRO-DGMDHIGGSA-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)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

4.5 lsomeric 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](OC([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 89 96 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -19.9186 -7.5 0 0
M  V30 2 C -19.9186 -6.5 0 0
M  V30 3 C -20.7846 -6 0 0
M  V30 4 C -20.7846 -5 0 0
M  V30 5 C -19.9186 -4.5 0 0
M  V30 6 C -19.0526 -5 0 0
M  V30 7 O -19.0526 -6 0 0
M  V30 8 O -18.1865 -4.5 0 0
M  V30 9 C -17.3205 -5 0 0
M  V30 10 C -16.4545 -4.5 0 0
M  V30 11 O -15.5885 -5 0 0
M  V30 12 C -15.5885 -6 0 0
M  V30 13 C -16.4545 -6.5 0 0
M  V30 14 C -17.3205 -6 0 0
M  V30 15 O -18.1865 -6.5 0 0
M  V30 16 O -16.4545 -7.5 0 0
M  V30 17 O -14.7224 -6.5 0 0
M  V30 18 C -13.8564 -6 0 0
M  V30 19 C -12.9904 -6.5 0 0
M  V30 20 O -12.1244 -6 0 0
M  V30 21 C -12.1244 -5 0 0
M  V30 22 C -12.9904 -4.5 0 0
M  V30 23 C -13.8564 -5 0 0
M  V30 24 O -14.7224 -4.5 0 0
M  V30 25 O -12.9904 -3.5 0 0
M  V30 26 O -11.2583 -4.5 0 0
M  V30 27 C -10.3923 -5 0 0
M  V30 28 C -9.52628 -4.5 0 0
M  V30 29 O -8.66025 -5 0 0
M  V30 30 C -8.66025 -6 0 0
M  V30 31 C -9.52628 -6.5 0 0
M  V30 32 C -10.3923 -6 0 0
M  V30 33 O -11.2583 -6.5 0 0
M  V30 34 O -9.52628 -7.5 0 0
M  V30 35 O -7.79423 -6.5 0 0
M  V30 36 C -6.9282 -6 0 0
M  V30 37 C -6.9282 -5 0 0
M  V30 38 O -6.06218 -4.5 0 0
M  V30 39 C -5.19615 -5 0 0
M  V30 40 C -5.19615 -6 0 0
M  V30 41 C -6.06218 -6.5 0 0
M  V30 42 O -6.06218 -7.5 0 0
M  V30 43 O -4.33013 -6.5 0 0
M  V30 44 O -4.33013 -4.5 0 0
M  V30 45 C -4.33013 -3.5 0 0
M  V30 46 C -3.4641 -3 0 0
M  V30 47 O -3.4641 -2 0 0
M  V30 48 C -4.33013 -1.5 0 0
M  V30 49 C -5.19615 -2 0 0
M  V30 50 C -5.19615 -3 0 0
M  V30 51 O -6.06218 -3.5 0 0
M  V30 52 O -6.06218 -1.5 0 0
M  V30 53 O -4.33013 -0.5 0 0
M  V30 54 C -3.4641 -7.10543e-15 0 0
M  V30 55 C -2.59808 -0.5 0 0
M  V30 56 O -1.73205 -3.44169e-15 0 0
M  V30 57 C -1.73205 1 0 0
M  V30 58 C -2.59808 1.5 0 0
M  V30 59 C -3.4641 1 0 0
M  V30 60 O -4.33013 1.5 0 0
M  V30 61 O -2.59808 2.5 0 0
M  V30 62 O -0.866025 1.5 0 0
M  V30 63 C 1.44329e-15 1 0 0
M  V30 64 C 0.866025 1.5 0 0
M  V30 65 O 1.73205 1 0 0
M  V30 66 C 1.73205 1.9984e-15 0 0
M  V30 67 C 0.866025 -0.5 0 0
M  V30 68 C -0 -0 0 0
M  V30 69 O -0.866025 -0.5 0 0
M  V30 70 O 0.866025 -1.5 0 0
M  V30 71 O 2.59808 -0.5 0 0
M  V30 72 C 0.866025 2.5 0 0
M  V30 73 O 1.73205 3 0 0
M  V30 74 C -2.59808 -1.5 0 0
M  V30 75 O -1.73205 -2 0 0
M  V30 76 C -2.59808 -3.5 0 0
M  V30 77 O -1.73205 -3 0 0
M  V30 78 C -7.79423 -4.5 0 0
M  V30 79 O -7.79423 -3.5 0 0
M  V30 80 C -9.52628 -3.5 0 0
M  V30 81 O -8.66025 -3 0 0
M  V30 82 C -12.9904 -7.5 0 0
M  V30 83 O -12.1244 -8 0 0
M  V30 84 C -16.4545 -3.5 0 0
M  V30 85 O -17.3205 -3 0 0
M  V30 86 O -19.9186 -3.5 0 0
M  V30 87 O -21.6506 -4.5 0 0
M  V30 88 O -21.6506 -6.5 0 0
M  V30 89 O -20.7846 -8 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 89
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 88
M  V30 7 1 4 5
M  V30 8 1 4 87
M  V30 9 1 5 6
M  V30 10 1 5 86
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 84
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 82
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 80
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 78
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 76
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 74
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 72
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 72 73
M  V30 91 1 74 75
M  V30 92 1 76 77
M  V30 93 1 78 79
M  V30 94 1 80 81
M  V30 95 1 82 83
M  V30 96 1 84 85
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