CAS号:62956-48-3-戈米辛G - Gomisin G-科华智慧

1. 主信息

英文名:	Gomisin G
中文名:	戈米辛G
CAS编号:	62956-48-3
化学分子式：	C₃₀H₃₂O₉
化学分子量：	536.6 g/mol
SMILES：	CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC
来源：	五味子
结构类型：	木质素类
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	20mg	HPLC≥98%	1536	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 71 75 0 1 0 0 0 0 0999 V2000 -2.5878 3.1724 1.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 1.8421 -0.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -0.3111 -1.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -2.3734 -0.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 -2.6789 0.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -2.1851 -0.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -1.0416 2.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -2.5423 0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 0.8805 -2.7776 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2016 3.0878 0.7341 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3773 2.6946 2.0085 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0499 2.1242 -0.4888 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6779 1.2735 2.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.8445 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 4.5078 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 0.2311 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 3.6812 3.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -0.3765 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -0.5259 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 0.9049 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 -1.4989 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 0.0427 2.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -1.4606 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -0.2165 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 -1.3883 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 -0.8862 1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 -1.6389 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 1.2158 -1.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5406 -1.6834 -1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 0.9790 -2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 -2.8451 2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -3.6011 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -0.2185 2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -3.5951 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -0.1162 -2.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9122 1.8619 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -0.3386 -3.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 1.6393 -1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7247 0.5391 -2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6896 2.7614 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 2.6828 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 0.9926 2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 1.2336 3.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 4.5744 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 4.7869 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 5.2725 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 4.6933 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6547 3.7191 3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 3.3843 4.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 2.3156 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 1.8220 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 0.6325 3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7474 -2.2130 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4426 -1.7030 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 -2.8835 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -2.0370 2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 -3.7930 2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -3.9314 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 -4.0260 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -3.9831 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -0.4253 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 0.8403 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.4489 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 -3.3405 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 -3.8239 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 -4.4921 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 -0.8086 -3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 2.7317 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -1.1962 -3.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 2.3234 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7893 0.3656 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 50 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 25 1 0 0 0 0 4 29 1 0 0 0 0 5 21 1 0 0 0 0 5 31 1 0 0 0 0 6 23 1 0 0 0 0 6 32 1 0 0 0 0 7 26 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 34 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 67 1 0 0 0 0 36 38 2 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate

4.2 InChl

InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

4.3 InChlKey

OFDWKHIQKPKRKY-DSASHONVSA-N

4.4 Canonical SMILES

CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC

4.5 lsomeric SMILES

C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 39 43 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.61651 5.75359 0 0
M  V30 2 C 1.25084 4.87077 0 0
M  V30 3 C 0.295283 4.87077 0 0
M  V30 4 C -0.380397 4.19509 0 0
M  V30 5 C -1.20793 4.67287 0 0
M  V30 6 C -2.03547 4.19509 0 0
M  V30 7 C -2.03547 3.23954 0 0
M  V30 8 C -1.20793 2.76176 0 0
M  V30 9 C -0.380397 3.23954 0 0
M  V30 10 C 0.295283 2.56386 0 0
M  V30 11 C -0.182495 1.73632 0 0
M  V30 12 C 0.295283 0.908787 0 0
M  V30 13 C 1.25084 0.908787 0 0
M  V30 14 C 1.72862 1.73632 0 0
M  V30 15 C 1.25084 2.56386 0 0
M  V30 16 C 1.92652 3.23954 0 0
M  V30 17 C 1.92652 4.19509 0 0
M  V30 18 C 2.8739 4.07037 0 0
M  V30 19 O 2.50822 4.95319 0 0
M  V30 20 O 2.80934 2.87386 0 0
M  V30 21 C 3.56743 3.45557 0 0
M  V30 22 O 3.4427 4.40295 0 0
M  V30 23 C 4.45025 3.08989 0 0
M  V30 24 C 4.57497 2.14251 0 0
M  V30 25 C 5.45779 1.77684 0 0
M  V30 26 C 6.21588 2.35854 0 0
M  V30 27 C 6.09116 3.30592 0 0
M  V30 28 C 5.20834 3.6716 0 0
M  V30 29 O 1.54612 1.69741e-15 0 0
M  V30 30 C 0.773061 -0.561661 0 0
M  V30 31 O 0 -0 0 0
M  V30 32 O -2.09361 1.73632 0 0
M  V30 33 C -2.57138 0.908787 0 0
M  V30 34 O -1.20793 0.850649 0 0
M  V30 35 C -2.03547 0.372871 0 0
M  V30 36 O -2.863 2.76176 0 0
M  V30 37 C -3.69054 3.23954 0 0
M  V30 38 O -2.863 4.67287 0 0
M  V30 39 C -3.69054 4.19509 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 38
M  V30 10 1 7 8
M  V30 11 1 7 36
M  V30 12 2 8 9
M  V30 13 1 8 34
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 32
M  V30 19 1 12 31
M  V30 20 2 12 13
M  V30 21 1 13 14
M  V30 22 1 13 29
M  V30 23 2 14 15
M  V30 24 1 15 16
M  V30 25 1 16 17
M  V30 26 1 16 20
M  V30 27 1 17 18
M  V30 28 1 17 19
M  V30 29 1 20 21
M  V30 30 2 21 22
M  V30 31 1 21 23
M  V30 32 1 23 28
M  V30 33 2 23 24
M  V30 34 1 24 25
M  V30 35 2 25 26
M  V30 36 1 26 27
M  V30 37 2 27 28
M  V30 38 1 29 30
M  V30 39 1 30 31
M  V30 40 1 32 33
M  V30 41 1 34 35
M  V30 42 1 36 37
M  V30 43 1 38 39
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
阿里山五味子	Taiwan Magnoliavine	Schisandra arisanensis
北五味子	Schisandrae Chinensis Fructus	-
内南五味子	Fengqing Kadsura	Kadsura interior
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