CAS号:7432-28-2-五味子醇甲 - Schizandrin-科华智慧

1. 主信息

英文名:	Schizandrin
中文名:	五味子醇甲
CAS编号:	7432-28-2
化学分子式：	C₂₄H₃₂O₇
化学分子量：	432.5 g/mol
SMILES：	CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
来源：	胡卢巴五味子
结构类型：	木质素类
其它名称或标识：	schisandrin schizandrin schizandrol A wuweizisu A

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	20mg	HPLC≥98%	140	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 63 65 0 1 0 0 0 0 0999 V2000 0.3510 4.3377 -1.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 -2.2565 1.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 -2.1976 -1.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 -0.5157 -0.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -0.1655 0.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -2.4609 0.8219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 -2.2102 -0.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 3.2812 -0.5132 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6127 3.2562 0.4669 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7220 2.0064 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6567 2.0393 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 0.7937 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 0.8740 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 3.6309 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 4.5398 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 -0.2046 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 -0.1617 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 0.6581 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 0.8532 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -1.2936 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 -1.1946 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -0.4274 -0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 -0.1782 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -1.4029 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 -1.2035 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -2.0399 2.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -1.9822 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 0.0917 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6909 0.5014 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -3.6173 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 -3.3512 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5184 3.2556 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.2572 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2678 1.7341 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1718 2.3060 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 1.7398 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9109 4.6437 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 2.9349 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 3.6399 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 4.5990 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 5.4351 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 4.5660 1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 4.4383 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 1.4136 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 1.6559 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.8402 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -1.0820 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 -2.0733 3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 -1.0604 -2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8934 -1.9422 -3.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -2.8224 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -0.3657 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 1.1687 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6992 -0.0674 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4233 1.5619 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 0.4177 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 0.0339 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -3.3790 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6305 -4.0235 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -4.3745 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 -3.8274 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5266 -4.0673 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 -3.0698 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 23 1 0 0 0 0 5 29 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol

4.2 InChl

InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3

4.3 InChlKey

YEFOAORQXAOVJQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 33 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.30367 0.871086 0 0
M  V30 2 C 0.942857 1.04678e-16 0 0
M  V30 3 C 1.60956 -0.666701 0 0
M  V30 4 C 1.60956 -1.60956 0 0
M  V30 5 C 2.52029 -1.85359 0 0
M  V30 6 C 2.76432 -2.76432 0 0
M  V30 7 C 2.09762 -3.43102 0 0
M  V30 8 C 1.18689 -3.18699 0 0
M  V30 9 C 0.942857 -2.27626 0 0
M  V30 10 C -2.09356e-16 -2.27626 0 0
M  V30 11 C -0.244029 -3.18699 0 0
M  V30 12 C -1.15476 -3.43102 0 0
M  V30 13 C -1.82146 -2.76432 0 0
M  V30 14 C -1.57743 -1.85359 0 0
M  V30 15 C -0.666701 -1.60956 0 0
M  V30 16 C -0.666701 -0.666701 0 0
M  V30 17 C 0 -0 0 0
M  V30 18 C 0.123068 0.934791 0 0
M  V30 19 O -0.748019 0.573975 0 0
M  V30 20 O -2.73219 -3.00835 0 0
M  V30 21 C -3.39889 -2.34165 0 0
M  V30 22 O -1.39879 -4.34175 0 0
M  V30 23 C -2.30952 -4.58578 0 0
M  V30 24 O 1.08937 -4.52039 0 0
M  V30 25 C 0.845343 -5.43112 0 0
M  V30 26 O -0.146515 -4.52039 0 0
M  V30 27 C 0.0975146 -5.43112 0 0
M  V30 28 O 2.34165 -4.34175 0 0
M  V30 29 C 3.25238 -4.58578 0 0
M  V30 30 O 3.67505 -3.00835 0 0
M  V30 31 C 3.91908 -3.91908 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 17
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 9
M  V30 6 2 4 5
M  V30 7 1 5 6
M  V30 8 2 6 7
M  V30 9 1 6 30
M  V30 10 1 7 8
M  V30 11 1 7 28
M  V30 12 2 8 9
M  V30 13 1 8 26
M  V30 14 1 9 10
M  V30 15 1 10 15
M  V30 16 2 10 11
M  V30 17 1 11 12
M  V30 18 1 11 24
M  V30 19 2 12 13
M  V30 20 1 12 22
M  V30 21 1 13 14
M  V30 22 1 13 20
M  V30 23 2 14 15
M  V30 24 1 15 16
M  V30 25 1 16 17
M  V30 26 1 17 18
M  V30 27 1 17 19
M  V30 28 1 20 21
M  V30 29 1 22 23
M  V30 30 1 24 25
M  V30 31 1 26 27
M  V30 32 1 28 29
M  V30 33 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END

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
北五味	fruit of Chinese Nmagnoliavine	Fructus Schiandrae

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