CAS号:82467-50-3-R(+)-戈米辛M1 - R(+)-Gomisin M1-科华智慧

1. 主信息

英文名:	R(+)-Gomisin M1
中文名:	R(+)-戈米辛M1
CAS编号:	82467-50-3
化学分子式：	C₂₂H₂₆O₆
化学分子量：	386.4 g/mol
SMILES：	CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3
来源：	-
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)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥98%	4800	点击购买	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 54 57 0 1 0 0 0 0 0999 V2000 -4.9373 0.7292 -0.2932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 2.4685 0.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 2.3470 0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 2.0751 -1.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -0.1302 0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 1.9328 -1.3229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 -3.2543 -0.4221 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2789 -3.2965 0.4962 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0023 -2.0552 -1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -2.0128 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -0.8048 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -0.9358 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 0.2162 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -4.5456 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -4.4939 1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 0.1091 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -0.6772 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 1.3551 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6655 -0.9987 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 1.0696 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 0.4526 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 1.4425 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -0.0390 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 0.9969 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9364 2.0107 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 2.2176 2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 0.5338 1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 3.2872 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 -3.2034 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -3.4462 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 -2.3030 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.8579 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 -2.2442 2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4824 -1.6329 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9737 -4.4925 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -4.7188 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 -5.4198 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -4.4926 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6842 -4.4676 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -5.4471 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 -1.4502 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -1.8078 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3984 2.7496 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5369 1.9347 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 1.8399 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 1.2755 2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 2.2768 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 3.0445 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 0.3744 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1206 0.1184 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 1.6096 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 3.3658 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 3.8082 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4093 3.7760 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 45 1 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 24 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 15 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 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 17 2 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 25 43 1 0 0 0 0 25 44 1 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

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4. 国际命名与标识

4.1 IUPAC Name

4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

4.2 InChl

InChI=1S/C22H26O6/c1-11-6-13-8-15(24-3)20(25-4)19(23)17(13)18-14(7-12(11)2)9-16-21(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3

4.3 InChlKey

OGJPBGDUYKEQLA-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.62374 -1.28066 0 0
M  V30 2 C -4.25302 -0.385649 0 0
M  V30 3 C -3.28427 -0.385649 0 0
M  V30 4 C -2.59926 0.29936 0 0
M  V30 5 C -1.7603 -0.185015 0 0
M  V30 6 C -0.921336 0.29936 0 0
M  V30 7 C -0.921336 1.26811 0 0
M  V30 8 C -1.7603 1.75249 0 0
M  V30 9 C -2.59926 1.26811 0 0
M  V30 10 C -3.28427 1.95312 0 0
M  V30 11 C -2.79989 2.79208 0 0
M  V30 12 C -3.28427 3.63104 0 0
M  V30 13 C -4.25302 3.63104 0 0
M  V30 14 C -4.73739 2.79208 0 0
M  V30 15 C -4.25302 1.95312 0 0
M  V30 16 C -4.93803 1.26811 0 0
M  V30 17 C -4.93803 0.29936 0 0
M  V30 18 C -5.83304 -0.0713644 0 0
M  V30 19 O -4.73739 4.47001 0 0
M  V30 20 C -4.25302 5.30897 0 0
M  V30 21 O -2.79989 4.47001 0 0
M  V30 22 C -3.28427 5.30897 0 0
M  V30 23 O -1.83114 2.79208 0 0
M  V30 24 O -1.7603 3.68999 0 0
M  V30 25 C -0.921336 4.17436 0 0
M  V30 26 O -2.47372e-15 1.56747 0 0
M  V30 27 C 0.569417 0.783735 0 0
M  V30 28 O 0 0 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 1 6 28
M  V30 9 2 6 7
M  V30 10 1 7 8
M  V30 11 1 7 26
M  V30 12 2 8 9
M  V30 13 1 8 24
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 23
M  V30 19 2 12 13
M  V30 20 1 12 21
M  V30 21 1 13 14
M  V30 22 1 13 19
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 19 20
M  V30 28 1 21 22
M  V30 29 1 24 25
M  V30 30 1 26 27
M  V30 31 1 27 28
M  V30 END BOND
M  V30 END CTAB
M  END

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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
五味子	Chinese Magnoliavine Equivalent plant: Schisandra	Schisandra chinensis

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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