CAS号:34612-38-9-麦芽四糖 - Maltotetraose-科华智慧

1. 主信息

英文名:	Maltotetraose
中文名:	麦芽四糖
CAS编号:	34612-38-9
化学分子式：	C₂₄H₄₂O₂₁
化学分子量：	666.6 g/mol
SMILES：	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
来源：	-
结构类型：	糖类
其它名称或标识：	maltotetraose

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	20mg	HPLC≥98%	576	点击购买	2-8℃	现货	-
科华智慧	50mg	≥95%	784	点击购买	2-8℃	现货	-
科华智慧	250mg	≥95%	2880	点击购买	2-8℃	现货	-
科华智慧	1g	≥95%	6800	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

-1 -2 -3 87 90 0 1 0 0 0 0 0999 V2000 0.1510 1.6500 0.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 2.6507 -0.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 0.5600 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 -0.4075 0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 0.0490 0.8881 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2491 -0.1196 0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 4.0167 0.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5324 -2.9531 -0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 0.3750 2.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 1.6904 3.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 0.9454 2.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 0.8193 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 -2.7108 1.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0871 -4.2455 0.3502 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9618 -2.8818 -2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 -1.4266 -0.4801 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 3.1376 -2.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 2.3245 -2.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 -3.5310 0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 -3.7560 -0.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4072 1.3575 -1.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 2.4247 -0.1761 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3476 0.8622 0.5905 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1020 2.9499 0.9310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4449 0.6726 1.8111 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9503 2.4677 0.8408 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6521 1.9467 2.0959 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8975 1.5343 -1.2045 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0291 1.8566 1.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5640 1.4431 -0.5943 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7078 1.0960 0.3258 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1710 -0.6938 -0.1248 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1011 -0.6651 0.9659 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6769 -0.5294 0.0907 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7601 -2.1713 -0.0652 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3064 -2.1531 1.2540 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6647 -2.9287 -0.0121 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8133 -2.2439 -0.7556 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6719 2.3191 -2.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 -1.4760 -0.8201 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5381 -0.7458 -0.9425 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4745 1.7874 -1.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9364 -2.9110 -0.7207 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2925 -2.3731 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7364 -0.0133 -1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 3.2623 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 1.5680 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 3.3506 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -0.1880 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 3.4697 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 2.7132 2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 0.9558 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 2.2858 2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 0.7233 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 1.7708 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -0.3087 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0977 -0.1763 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 -0.6813 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -2.5721 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -2.2759 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 -3.0530 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7495 -2.3920 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1563 1.6306 -2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 2.9516 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3606 -1.1252 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 -0.5944 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9903 0.9011 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2124 2.5447 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4289 -3.5034 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 4.7155 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 1.1685 3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 2.5233 3.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -1.8521 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.0405 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 1.4522 3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9959 -0.4100 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6069 -0.0866 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 0.9812 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -2.1889 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8601 -4.1660 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1498 -2.7256 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3071 -2.0369 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 3.6146 -3.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 2.5382 -3.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3279 -4.4879 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -3.8623 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1829 1.8045 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 70 1 0 0 0 0 8 35 1 0 0 0 0 8 43 1 0 0 0 0 9 25 1 0 0 0 0 9 71 1 0 0 0 0 10 27 1 0 0 0 0 10 72 1 0 0 0 0 11 29 1 0 0 0 0 11 75 1 0 0 0 0 12 34 1 0 0 0 0 12 78 1 0 0 0 0 13 36 1 0 0 0 0 13 79 1 0 0 0 0 14 37 1 0 0 0 0 14 80 1 0 0 0 0 15 38 1 0 0 0 0 15 81 1 0 0 0 0 16 40 1 0 0 0 0 16 82 1 0 0 0 0 17 39 1 0 0 0 0 17 83 1 0 0 0 0 18 42 1 0 0 0 0 18 84 1 0 0 0 0 19 43 1 0 0 0 0 19 85 1 0 0 0 0 20 44 1 0 0 0 0 20 86 1 0 0 0 0 21 45 1 0 0 0 0 21 87 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 39 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 42 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 40 1 0 0 0 0 34 58 1 0 0 0 0 35 44 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 41 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 43 1 0 0 0 0 40 65 1 0 0 0 0 41 45 1 0 0 0 0 41 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 43 69 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0

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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)-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-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1

4.3 InChlKey

LUEWUZLMQUOBSB-ZLBHSGTGSA-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)O)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)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 45 48 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 9.52628 1.5 0 0
M  V30 2 C 9.52628 0.5 0 0
M  V30 3 C 10.3923 1.77636e-14 0 0
M  V30 4 C 10.3923 -1 0 0
M  V30 5 C 9.52628 -1.5 0 0
M  V30 6 C 8.66025 -1 0 0
M  V30 7 O 8.66025 1.64313e-14 0 0
M  V30 8 O 7.79423 -1.5 0 0
M  V30 9 C 6.9282 -1 0 0
M  V30 10 C 6.06218 -1.5 0 0
M  V30 11 O 5.19615 -1 0 0
M  V30 12 C 5.19615 1.02141e-14 0 0
M  V30 13 C 6.06218 0.5 0 0
M  V30 14 C 6.9282 1.42109e-14 0 0
M  V30 15 O 7.79423 0.5 0 0
M  V30 16 O 6.06218 1.5 0 0
M  V30 17 O 4.33013 0.5 0 0
M  V30 18 C 3.4641 8.43769e-15 0 0
M  V30 19 C 2.59808 0.5 0 0
M  V30 20 O 1.73205 5.77316e-15 0 0
M  V30 21 C 1.73205 -1 0 0
M  V30 22 C 2.59808 -1.5 0 0
M  V30 23 C 3.4641 -1 0 0
M  V30 24 O 4.33013 -1.5 0 0
M  V30 25 O 2.59808 -2.5 0 0
M  V30 26 O 0.866025 -1.5 0 0
M  V30 27 C 5.60663e-15 -1 0 0
M  V30 28 C -0.866025 -1.5 0 0
M  V30 29 O -1.73205 -1 0 0
M  V30 30 C -1.73205 -6.88338e-15 0 0
M  V30 31 C -0.866025 0.5 0 0
M  V30 32 C 0 -0 0 0
M  V30 33 O 0.866025 0.5 0 0
M  V30 34 O -0.866025 1.5 0 0
M  V30 35 O -2.59808 0.5 0 0
M  V30 36 C -0.866025 -2.5 0 0
M  V30 37 O -1.73205 -3 0 0
M  V30 38 C 2.59808 1.5 0 0
M  V30 39 O 1.73205 2 0 0
M  V30 40 C 6.06218 -2.5 0 0
M  V30 41 O 6.9282 -3 0 0
M  V30 42 O 9.52628 -2.5 0 0
M  V30 43 O 11.2583 -1.5 0 0
M  V30 44 O 11.2583 0.5 0 0
M  V30 45 O 10.3923 2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 45
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 44
M  V30 7 1 4 5
M  V30 8 1 4 43
M  V30 9 1 5 6
M  V30 10 1 5 42
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 40
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 38
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 36
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 36 37
M  V30 47 1 38 39
M  V30 48 1 40 41
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