2. 供应商与价格

3. 结构

3.1 二维结构

3.2 三维结构

4. 国际命名与标识

4.1 IUPAC Name

3,12-bis[5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3,12-bis[5-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)penta-1,3-dienyl]-4,13-dioxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadeca-2,11-diene-2,11-diolate;3-[5-[12-[5-(8,11-dimethyl-2-oxido-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-8,11-dimethyl-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-2-olate;2-ethyl-5-[5-[12-[5-(2-ethyl-2-methyl-4-oxido-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol

4.2 InChl

InChI=1S/C44H48O16.C40H40O16.C36H36O16.4C34H24N2O2.C34H32O16/c1-25-15-17-27(3)43(23-25)57-37(49)31(38(50)58-43)13-9-5-7-11-29-33(45)53-41(54-34(29)46)19-21-42(22-20-41)55-35(47)30(36(48)56-42)12-8-6-10-14-32-39(51)59-44(60-40(32)52)24-26(2)16-18-28(44)4;41-29-25(30(42)50-37(49-29)17-9-3-10-18-37)13-5-1-7-15-27-33(45)53-39(54-34(27)46)21-23-40(24-22-39)55-35(47)28(36(48)56-40)16-8-2-6-14-26-31(43)51-38(52-32(26)44)19-11-4-12-20-38;1-5-33(3)45-25(37)21(26(38)46-33)13-9-7-11-15-23-29(41)49-35(50-30(23)42)17-19-36(20-18-35)51-31(43)24(32(44)52-36)16-12-8-10-14-22-27(39)47-34(4,6-2)48-28(22)40;4*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28;1-31(2)43-23(35)19(24(36)44-31)11-7-5-9-13-21-27(39)47-33(48-28(21)40)15-17-34(18-16-33)49-29(41)22(30(42)50-34)14-10-6-8-12-20-25(37)45-32(3,4)46-26(20)38/h5-14,25-28,49,51H,15-24H2,1-4H3;1-2,5-8,13-16,45,47H,3-4,9-12,17-24H2;7-16,37,39H,5-6,17-20H2,1-4H3;4*1-24H;5-14,39,41H,15-18H2,1-4H3

4.3 InChlKey

DENDBKLJAQIVGF-UHFFFAOYSA-N

4.4 Canonical SMILES

CCC1(OC(=C(C(=O)O1)C=CC=CC=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=CC=CC=CC5=C(OC(OC5=O)(C)CC)[O-])C(=O)O4)OC2=O)[O-])C.CC1CCC(C2(C1)OC(=C(C(=O)O2)C=CC=CC=C3C(=O)OC4(CCC5(CC4)OC(=O)C(=CC=CC=CC6=C(OC7(CC(CCC7C)C)OC6=O)[O-])C(=O)O5)OC3=O)[O-])C.CC1(OC(=O)C(=CC=CC=CC2=C(OC3(CCC4(CC3)OC(=C(C(=O)O4)C=CC=CC=C5C(=O)OC(OC5=O)(C)C)[O-])OC2=O)[O-])C(=O)O1)C.C1CCC2(CC1)OC(=O)C(=CC=CC=CC3=C(OC4(CCC5(CC4)OC(=C(C(=O)O5)C=CC=CC=C6C(=O)OC7(CCCCC7)OC6=O)[O-])OC3=O)[O-])C(=O)O2.C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O.C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O.C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O.C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+]3=CC=C(C=C3)C4=CC=[N+](C=C4)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O

4.5 lsomeric SMILES

-

4.6 SDF文件

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)

5.4 红外光谱(IR)

5.5 紫外/可见光谱(UV/Vis)

6. 相关药材

7. 相关靶点

8. 相关疾病