CAS号:13343-63-0-苄基 2-乙酰氨基-4,6-O-亚苄基-2-脱氧-α-D-吡喃葡萄糖苷 - N-((4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-hydroxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide-科华智慧

1. 主信息

英文名:	N-((4aR,6S,7R,8R,8aS)-6-(Benzyloxy)-8-hydroxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
中文名:	苄基 2-乙酰氨基-4,6-O-亚苄基-2-脱氧-α-D-吡喃葡萄糖苷
CAS编号:	13343-63-0
化学分子式：	C₂₂H₂₅NO₆
化学分子量：	399.4 g/mol
SMILES：	CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC4=CC=CC=C4)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	5g	99%(sum of enantiomers, HPLC)	640	RT	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 54 57 0 1 0 0 0 0 0999 V2000 0.7086 0.7183 -1.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 0.7879 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -0.7222 -1.6074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 2.9778 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 0.0280 -0.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 4.2384 -0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 2.6088 0.8857 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 1.3208 -0.4279 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0965 1.8293 0.6150 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4506 0.2273 -1.2791 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2127 2.2343 -0.0778 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7278 1.1349 -1.0238 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4744 -0.2686 -2.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 0.3020 -0.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3668 -0.2765 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 3.5827 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -0.9715 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6463 -0.1946 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -0.8959 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 -2.1074 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0881 3.7926 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7392 -0.7296 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 -1.4310 1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5548 -1.3478 1.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 -2.0980 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -3.1591 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 -3.1537 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -4.2148 0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -4.2121 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 2.1714 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 1.0739 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -0.6257 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 3.1233 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 1.5679 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -1.1031 -2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 0.5129 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 1.1473 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 2.0920 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 2.7079 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -1.3534 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 -0.5538 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8028 0.2825 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.9869 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 2.8390 2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 4.2261 2.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 4.4734 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7335 -0.6656 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1342 -1.9154 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4056 -1.7652 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -1.2774 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -3.1698 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 -3.1513 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -5.0386 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8064 -5.0339 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 9 1 0 0 0 0 4 39 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 16 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 2 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

4.2 InChl

InChI=1S/C22H25NO6/c1-14(24)23-18-19(25)20-17(13-27-21(29-20)16-10-6-3-7-11-16)28-22(18)26-12-15-8-4-2-5-9-15/h2-11,17-22,25H,12-13H2,1H3,(H,23,24)/t17-,18-,19-,20-,21?,22+/m1/s1

4.3 InChlKey

NXGXFAKJUWEFEC-NVZUTRPHSA-N

4.4 Canonical SMILES

CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC4=CC=CC=C4)O

4.5 lsomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1OCC4=CC=CC=C4)O

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型