CAS号:72960-22-6-戈米辛O - Gomisin O-科华智慧

1. 主信息

英文名:	Gomisin O
中文名:	戈米辛O
CAS编号:	72960-22-6
化学分子式：	C₂₃H₂₈O₇
化学分子量：	416.5 g/mol
SMILES：	CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3
来源：	五味子红花五味子滇藏五味子
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	10mg	HPLC≥98%	2800	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 58 61 0 1 0 0 0 0 0999 V2000 -0.6050 1.6837 2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9791 -0.3857 -0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -2.1649 0.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -2.2056 1.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 -2.1097 -1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.4008 0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3998 -2.2965 -0.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 3.3198 0.6250 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7987 3.2953 -0.3338 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6193 2.0538 1.5107 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8034 2.1394 -1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 0.8532 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 0.9291 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8736 -0.1150 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 -0.1222 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 3.7422 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 4.6307 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 0.8822 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -1.1938 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 0.7237 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -1.1736 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6353 -0.1915 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.2028 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -0.3246 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 -1.2739 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 -1.6406 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 -2.4039 2.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6471 -1.8251 -2.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5499 0.2660 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -3.4888 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 4.1239 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 3.2135 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 2.3535 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 1.8763 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3156 2.4488 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 3.7590 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 3.0702 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 4.7546 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 5.4765 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 4.7629 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 4.6740 -1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.6785 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 1.4608 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 0.8424 2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7879 -1.4960 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5658 -2.3732 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 -3.1475 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -1.4691 2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -2.7950 3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0474 -2.6040 -3.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6474 -1.8361 -3.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.8578 -2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 1.3412 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3843 -0.1464 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.1094 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -4.2106 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -3.9203 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 -3.2860 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 44 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 21 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 25 1 0 0 0 0 7 30 1 0 0 0 0 8 9 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 17 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 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 20 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 21 2 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(8R,9S,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)-hexaen-8-ol

4.2 InChl

InChI=1S/C23H28O7/c1-11-7-13-8-16-21(30-10-29-16)22(27-5)17(13)18-14(19(24)12(11)2)9-15(25-3)20(26-4)23(18)28-6/h8-9,11-12,19,24H,7,10H2,1-6H3/t11-,12-,19+/m0/s1

4.3 InChlKey

GWDFJIBHVSYXQL-SYTFOFBDSA-N

4.4 Canonical SMILES

CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3

4.5 lsomeric SMILES

C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@H]1C)O)OC)OC)OC)OC)OCO3

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 33 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.50016 1.24643 0 0
M  V30 2 C 4.13934 0.375342 0 0
M  V30 3 C 3.19649 0.375342 0 0
M  V30 4 C 2.52979 -0.291359 0 0
M  V30 5 C 1.71325 0.18007 0 0
M  V30 6 C 0.89671 -0.291359 0 0
M  V30 7 C 0.89671 -1.23422 0 0
M  V30 8 C 1.71325 -1.70564 0 0
M  V30 9 C 2.52979 -1.23422 0 0
M  V30 10 C 3.19649 -1.90092 0 0
M  V30 11 C 2.72506 -2.71745 0 0
M  V30 12 C 3.19649 -3.53399 0 0
M  V30 13 C 4.13934 -3.53399 0 0
M  V30 14 C 4.61077 -2.71745 0 0
M  V30 15 C 4.13934 -1.90092 0 0
M  V30 16 C 4.80605 -1.23422 0 0
M  V30 17 C 4.80605 -0.291359 0 0
M  V30 18 C 5.67713 0.0694569 0 0
M  V30 19 O 5.67713 -1.59503 0 0
M  V30 20 O 4.61077 -4.35053 0 0
M  V30 21 C 4.13934 -5.16707 0 0
M  V30 22 O 2.72506 -4.35053 0 0
M  V30 23 C 3.19649 -5.16707 0 0
M  V30 24 O 0.839345 -2.71745 0 0
M  V30 25 C 0.367916 -3.53399 0 0
M  V30 26 O 1.71325 -3.59136 0 0
M  V30 27 C 0.89671 -4.06279 0 0
M  V30 28 O 1.04678e-15 -1.52557 0 0
M  V30 29 C -0.554198 -0.762787 0 0
M  V30 30 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 30
M  V30 9 2 6 7
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 16 19
M  V30 27 1 17 18
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 29 30
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
北五味子	Schisandrae Chinensis Fructus	-
红花五味子	Redflower Magnoliavine	Schisandra rubriflora
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