CAS号:62218-08-0-ε-Viniferin - Epsilon-viniferin-科华智慧

1. 主信息

英文名:	Epsilon-viniferin
中文名:	ε-Viniferin
CAS编号:	62218-08-0
化学分子式：	C₂₈H₂₂O₆
化学分子量：	454.5 g/mol
SMILES：	C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	epsilon-viniferin epsilon-viniferine

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	5mg	HPLC≥95%	1664	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 56 60 0 1 0 0 0 0 0999 V2000 3.0497 1.8277 -0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 5.8440 -0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -1.1365 -4.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 -3.6956 -0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -3.0490 2.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0497 -1.9046 1.4068 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 0.2932 -0.1139 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6553 0.4455 -0.4506 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7404 1.7260 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 2.5281 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4206 -0.6625 -1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 -0.4885 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.2920 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 3.9076 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -1.7515 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 -0.4558 -2.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 3.6848 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 4.4876 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 -1.7423 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 -0.0941 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 1.4910 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 -1.3380 -3.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.6336 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6673 -2.6027 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 -0.9544 2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -2.4269 -2.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 -2.2088 1.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3447 1.1225 1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5822 0.3273 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 -0.4400 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3279 0.3619 2.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1457 -1.1934 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4986 -0.3916 2.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9076 -1.1691 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.0178 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 0.2671 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 4.5200 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -1.9200 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 0.3928 -2.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 4.1568 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 -2.0614 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 0.8734 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 1.2328 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 -3.5774 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1415 -0.6431 3.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -3.1143 -3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9111 1.4337 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 6.0748 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -1.8402 -5.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -4.1969 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0453 -3.8710 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4044 -0.5029 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 0.9636 3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4512 -1.7987 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -0.3687 3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1798 -2.3801 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 2 48 1 0 0 0 0 3 22 1 0 0 0 0 3 49 1 0 0 0 0 4 23 1 0 0 0 0 4 50 1 0 0 0 0 5 27 1 0 0 0 0 5 51 1 0 0 0 0 6 34 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 23 1 0 0 0 0 15 38 1 0 0 0 0 16 22 2 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 19 24 1 0 0 0 0 19 41 1 0 0 0 0 20 25 2 0 0 0 0 20 42 1 0 0 0 0 21 28 2 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

4.2 InChl

InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1

4.3 InChlKey

FQWLMRXWKZGLFI-YVYUXZJTSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1/C=C/C2=C3[C@H]([C@@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)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
直立长春花	Erect Periwinkle	Vinca erecta

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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