CAS号:33401-87-5-D-潘糖 - Panose-科华智慧

1. 主信息

英文名:	Panose
中文名:	D-潘糖
CAS编号:	33401-87-5
化学分子式：	C₁₈H₃₂O₁₆
化学分子量：	504.4 g/mol
SMILES：	C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	alpha-D-glucopyranose, O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4) beta-D-glucopyranose, O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4) D-glucopyranose, O-alpha-D-glucopyranosyl-(1-4)-alpha-D-glucopyranosyl-(1-6) D-glucopyranose, O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4) glucopyranoside, O-alpha-D-glucopyranosyl-(1-6)-alpha-D-glucopyranosyl, beta-D

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	50mg	HPLC≥98%	1200	点击购买	2-8℃	现货	-
科华智慧	25mg	≥97%	336	点击购买	2-8℃	现货	-
科华智慧	100mg	≥97%	976	点击购买	2-8℃	现货	-
科华智慧	500mg	≥97%	4000	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 66 67 0 1 0 0 0 0 0999 V2000 -0.0673 1.3190 0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 0.5509 -0.7894 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 0.4100 -0.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 0.7710 0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 4.0107 -2.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 4.8301 -0.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 2.5718 0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 -1.3741 -2.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 -3.2476 -0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -2.4412 2.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 -2.5684 1.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -3.1798 -0.7249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2533 1.7609 2.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -2.3292 -0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -2.3240 -3.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7374 -1.9071 1.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 1.9725 -0.7329 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2181 3.4165 -0.7581 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7254 3.4668 -0.5006 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0863 2.6495 0.7381 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4806 1.2460 0.6852 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6373 0.4118 -0.8760 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0642 -0.9882 -1.3198 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8231 1.9090 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -2.0235 -0.2210 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4337 -1.5473 1.1026 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9933 -0.1137 1.4284 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1037 -0.9602 0.1358 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3300 -1.2559 1.0168 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7044 0.4381 2.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 -1.8180 -1.1320 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7076 -1.1553 0.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7990 -1.4426 -2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8591 -1.0584 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 1.4089 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 4.0211 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 3.1260 -1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 3.1753 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 0.8205 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 1.1046 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 -0.9711 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2732 2.4391 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 2.3717 -1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7651 -2.2524 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5278 -1.6061 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 -0.0746 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2016 -1.1667 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -0.5608 1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 0.4772 2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -0.1650 3.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 -1.7735 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 3.4617 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 5.1569 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 2.0378 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 -2.2705 -2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 -3.0706 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 -2.3700 2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7693 -0.2808 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9014 -0.4270 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -1.5459 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8701 -2.7185 2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -3.7182 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7197 2.0935 3.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8711 -0.1464 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 -3.1006 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -2.0641 -3.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 5 18 1 0 0 0 0 5 52 1 0 0 0 0 6 19 1 0 0 0 0 6 53 1 0 0 0 0 7 20 1 0 0 0 0 7 54 1 0 0 0 0 8 23 1 0 0 0 0 8 55 1 0 0 0 0 9 25 1 0 0 0 0 9 56 1 0 0 0 0 10 26 1 0 0 0 0 10 57 1 0 0 0 0 11 29 1 0 0 0 0 11 61 1 0 0 0 0 12 31 1 0 0 0 0 12 62 1 0 0 0 0 13 30 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 65 1 0 0 0 0 15 33 1 0 0 0 0 15 66 1 0 0 0 0 16 34 2 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 30 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 47 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 31 51 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 64 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

4.2 InChl

InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15+,16+,17-,18+/m0/s1

4.3 InChlKey

ZCLAHGAZPPEVDX-MQHGYYCBSA-N

4.4 Canonical SMILES

C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O)O)O)O

4.5 lsomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O

4.6 SDF文件

补充中

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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
桑叶	Mulberry Leaf	Folium Mori
水茄	Water Nightshade	Solanum torvum
西洋参	American Ginseng	Radix Pacis quinquefolii

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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