CAS号:69176-52-9-异南五味子木脂宁

1. 主信息

英文名:	gomisin N
中文名:	异南五味子木脂宁
CAS编号:	69176-52-9
化学分子式：	C₂₃H₂₈O₆
化学分子量：	400.5 g/mol
SMILES：	CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)OC)OC)OCO3
来源：	五味子
结构类型：	木质素类
其它名称或标识：	(+--)-gamma-schizandrin (-)-gomisin N Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aR)- benzo(3,4)cycloocta(1,2-F)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13AS)- gamma-schizandrin

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%	1008	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 57 60 0 1 0 0 0 0 0999 V2000 -4.9228 0.6069 -0.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 2.1833 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 2.0531 1.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 2.1790 -1.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 0.0440 0.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 2.1797 -0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -3.3146 -0.8107 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4782 -3.3674 0.1545 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8587 -1.9905 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 -2.2486 1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -0.8303 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 -1.0312 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 0.1090 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 0.0513 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -3.7326 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -4.7337 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 -0.6910 -1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 1.1521 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 -1.0125 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 1.1257 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 0.3444 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9152 1.2406 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 0.0607 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 1.1311 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0103 1.7751 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.7248 2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 2.0699 -2.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 -0.5426 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 3.4640 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -4.0829 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 -3.2860 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 -2.2020 -2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 -1.6815 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -2.6018 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 -1.9815 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 -3.0994 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8872 -3.6868 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -4.7677 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 -4.8268 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 -4.8708 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 -5.5502 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4955 -1.3877 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -1.8510 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 2.6021 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 1.5597 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 0.7628 2.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 1.6980 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 2.5014 3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 2.0492 -2.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 2.9481 -2.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 1.1752 -2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 -0.0056 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 -1.5988 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -0.4721 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 3.4000 0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 4.0257 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 4.0080 -0.0338 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 27 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 20 2 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 43 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 44 1 0 0 0 0 25 45 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 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(9R,10S)-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)-hexaene

4.2 InChl

InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1

4.3 InChlKey

RTZKSTLPRTWFEV-OLZOCXBDSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.49214 -1.24421 0 0
M  V30 2 C -4.13197 -0.374673 0 0
M  V30 3 C -3.19079 -0.374673 0 0
M  V30 4 C -2.52528 0.29084 0 0
M  V30 5 C -1.71019 -0.179749 0 0
M  V30 6 C -0.895112 0.29084 0 0
M  V30 7 C -0.895112 1.23202 0 0
M  V30 8 C -1.71019 1.7026 0 0
M  V30 9 C -2.52528 1.23202 0 0
M  V30 10 C -3.19079 1.89753 0 0
M  V30 11 C -2.7202 2.71261 0 0
M  V30 12 C -3.19079 3.52769 0 0
M  V30 13 C -4.13197 3.52769 0 0
M  V30 14 C -4.60255 2.71261 0 0
M  V30 15 C -4.13197 1.89753 0 0
M  V30 16 C -4.79748 1.23202 0 0
M  V30 17 C -4.79748 0.29084 0 0
M  V30 18 C -5.66701 -0.0693331 0 0
M  V30 19 O -4.60255 4.34278 0 0
M  V30 20 C -4.13197 5.15786 0 0
M  V30 21 O -2.7202 4.34278 0 0
M  V30 22 C -3.19079 5.15786 0 0
M  V30 23 O -0.837849 2.71261 0 0
M  V30 24 C -0.36726 3.52769 0 0
M  V30 25 O -1.71019 3.58496 0 0
M  V30 26 C -0.895112 4.05555 0 0
M  V30 27 O -1.35839e-15 1.52286 0 0
M  V30 28 C 0.55321 0.761428 0 0
M  V30 29 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 29
M  V30 9 2 6 7
M  V30 10 1 7 8
M  V30 11 1 7 27
M  V30 12 2 8 9
M  V30 13 1 8 25
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 23 24
M  V30 30 1 25 26
M  V30 31 1 27 28
M  V30 32 1 28 29
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
光果甘草	Licorice	Glycyrrhiza glabra
黑老虎	Kadsurae Coccineae Radix Et Caulis	-
红花五味子	Redflower Magnoliavine	Schisandra rubriflora
火麻仁	Hemp Seed	Semen Canbis;Fructus Canbis
雷公藤	root of common htreewingnut	radix tripterygii wilfordii
没药	Myrrh	Resi myrrhae;Myrrha
青椒	Peppertree Pricklyash	Zanthoxylum schinifolium
人参	Ginseng	Radix Ginseng
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