CAS号:1272755-07-3-4-甲氧苯基-2-氨基-3,6-二-O-苄基-2-脱氧-β-D-吡喃葡萄糖苷 - 4-Methoxyphenyl 2-Amino-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside-科华智慧

1. 主信息

英文名:	4-Methoxyphenyl 2-Amino-3,6-di-O-benzyl-2-deoxy-beta-D-glucopyranoside
中文名:	4-甲氧苯基-2-氨基-3,6-二-O-苄基-2-脱氧-β-D-吡喃葡萄糖苷
CAS编号:	1272755-07-3
化学分子式：	C₂₇H₃₁NO₆
化学分子量：	465.5 g/mol
SMILES：	COC1=CC=C(C=C1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N
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	1g	-	2072	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 65 68 0 1 0 0 0 0 0999 V2000 -0.1424 -0.1295 -0.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 -0.0128 -0.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 2.3558 0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -2.4572 -0.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 2.0556 -0.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6103 -2.9418 0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -2.4659 0.5509 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 -0.0291 0.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8821 1.1942 -0.2233 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9509 -1.3293 -0.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3941 1.0917 0.1254 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4536 -1.2861 0.2006 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4199 2.2314 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 0.8981 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -2.5766 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 0.5424 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 3.0871 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -2.6089 1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3606 -2.6668 -1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 2.8428 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 -0.3522 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9133 1.1061 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 -2.7314 1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 -2.7893 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -2.8217 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 -0.6831 0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 0.7753 -1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8619 2.0720 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5042 3.3861 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9032 -0.1192 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1828 1.8446 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 3.1588 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6644 2.3880 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4185 -3.0292 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 0.0008 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 1.2772 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.4747 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2432 1.1085 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -1.2521 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 2.2113 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 3.1985 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 -2.5140 0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 -3.3338 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 2.3150 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 0.8899 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 1.9173 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 4.0642 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 3.1012 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -2.5574 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -2.6412 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3685 -0.7998 1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 1.8023 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 -2.7597 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 -2.8538 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -1.3802 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7772 1.2137 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 1.6404 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 3.9865 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 -0.3769 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8357 1.2428 -1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1998 3.5812 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6925 2.2103 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3532 -2.1165 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1879 -3.9281 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4584 -3.1202 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 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 9 1 0 0 0 0 3 44 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 25 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 19 24 2 0 0 0 0 19 50 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 26 1 0 0 0 0 21 51 1 0 0 0 0 22 27 2 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 26 30 2 0 0 0 0 26 55 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 32 2 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3S,4R,5R,6S)-5-amino-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol

4.2 InChl

InChI=1S/C27H31NO6/c1-30-21-12-14-22(15-13-21)33-27-24(28)26(32-17-20-10-6-3-7-11-20)25(29)23(34-27)18-31-16-19-8-4-2-5-9-19/h2-15,23-27,29H,16-18,28H2,1H3/t23-,24-,25-,26-,27-/m1/s1

4.3 InChlKey

DFPWFVXGRBQWGQ-RFNQJFSXSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N

4.5 lsomeric SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)N

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