CAS号:78184-40-4-烯丙基-2,3,4-三-苄氧基-ALPHA-D-葡萄糖苷 - Allyl 2,3,4-tri-O-benzyl-A-D-glucopyranoside-科华智慧

1. 主信息

英文名:	Allyl 2,3,4-tri-O-benzyl-A-D-glucopyranoside
中文名:	烯丙基-2,3,4-三-苄氧基-ALPHA-D-葡萄糖苷
CAS编号:	78184-40-4
化学分子式：	C₃₀H₃₄O₆
化学分子量：	490.6 g/mol
SMILES：	C=CCOC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
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	50mg	-	560	RT	现货	-
科华智慧	100mg	-	728	RT	现货	-
科华智慧	500mg	-	2352	RT	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 70 73 0 1 0 0 0 0 0999 V2000 0.5174 1.7831 1.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 -0.2959 -0.5504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -0.7321 0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 1.5020 -0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 3.5807 0.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -0.9217 3.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -0.1157 -0.4075 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5325 -0.5642 0.9897 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6515 1.3563 -0.6665 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8734 0.4466 2.0983 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0974 2.2386 0.5015 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3240 0.3739 2.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 -1.6477 -0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 -1.5597 2.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 1.1407 -2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 4.5080 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 -1.7819 -0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 -2.0999 1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 0.8374 -2.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 5.8886 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9737 -2.0754 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7924 -1.6128 -2.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 -3.3082 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 -1.3934 2.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 1.8547 -2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0495 -0.4618 -1.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 -2.1998 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1756 -1.7374 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -3.8100 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1023 -1.8953 1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 1.5726 -2.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 -0.7439 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 6.7346 1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -2.0308 -1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 -3.1035 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3332 0.2733 -2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 -0.7415 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 -1.5315 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.7173 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 0.2382 2.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1911 2.2047 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 1.1141 3.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.5702 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.9566 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -2.3297 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -2.4015 2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -0.9866 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 0.2798 -2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 1.9808 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 4.2902 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 4.4284 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -0.9442 3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 6.2178 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -2.2073 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -1.3815 -3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -3.8658 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 -0.4492 2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 2.8714 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 -1.2625 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 -2.4275 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -1.6052 -3.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1675 -4.7497 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9934 -1.3444 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6002 2.3645 -2.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7644 -1.7562 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 6.4563 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 7.7272 1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0347 -2.1274 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2029 -3.4934 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 0.0533 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 18 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 19 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 33 2 0 0 0 0 20 53 1 0 0 0 0 21 27 1 0 0 0 0 21 54 1 0 0 0 0 22 28 2 0 0 0 0 22 55 1 0 0 0 0 23 29 1 0 0 0 0 23 56 1 0 0 0 0 24 30 2 0 0 0 0 24 57 1 0 0 0 0 25 31 1 0 0 0 0 25 58 1 0 0 0 0 26 32 2 0 0 0 0 26 59 1 0 0 0 0 27 34 2 0 0 0 0 27 60 1 0 0 0 0 28 34 1 0 0 0 0 28 61 1 0 0 0 0 29 35 2 0 0 0 0 29 62 1 0 0 0 0 30 35 1 0 0 0 0 30 63 1 0 0 0 0 31 36 2 0 0 0 0 31 64 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxan-2-yl]methanol

4.2 InChl

InChI=1S/C30H34O6/c1-2-18-32-30-29(35-22-25-16-10-5-11-17-25)28(34-21-24-14-8-4-9-15-24)27(26(19-31)36-30)33-20-23-12-6-3-7-13-23/h2-17,26-31H,1,18-22H2/t26-,27-,28+,29-,30+/m1/s1

4.3 InChlKey

OHCBJQXERNTLKZ-RLXMVLCYSA-N

4.4 Canonical SMILES

C=CCOC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

4.5 lsomeric SMILES

C=CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

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

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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