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

methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate

4.2 InChl

InChI=1S/C31H36O7.C29H30O7S.C29H32O7.C29H32O6S.C26H31BrO6S.C26H30O7.C24H28O7S/c1-19(2)11-12-22-13-14-23-17-24(37-27(23)16-22)15-21(4)30(34)29-25(32)18-26(38-31(29)35)20(3)9-7-6-8-10-28(33)36-5;1-18-10-12-21(13-11-18)35-26-15-14-22(37-26)16-20(3)28(32)27-23(30)17-24(36-29(27)33)19(2)8-6-5-7-9-25(31)34-4;1-5-9-20-12-13-21-16-22(35-25(21)15-20)14-19(3)28(32)27-23(30)17-24(36-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-9-20-12-13-21-16-22(36-25(21)15-20)14-19(3)28(32)27-23(30)17-24(35-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-15(2)11-22-19(27)13-18(34-22)12-17(4)25(30)24-20(28)14-21(33-26(24)31)16(3)9-7-6-8-10-23(29)32-5;1-5-32-20-13-11-19(12-14-20)15-18(3)25(29)24-21(27)16-22(33-26(24)30)17(2)9-7-6-8-10-23(28)31-4;1-5-30-21-12-11-17(32-21)13-16(3)23(27)22-18(25)14-19(31-24(22)28)15(2)9-7-6-8-10-20(26)29-4/h6,8,13-20,32H,7,9-12H2,1-5H3;5,7,10-17,19,30H,6,8-9H2,1-4H3;2*6,8,12-18,30H,5,7,9-11H2,1-4H3;6,8,12-16,28H,7,9-11H2,1-5H3;6,8,11-17,27H,5,7,9-10H2,1-4H3;6,8,11-15,25H,5,7,9-10H2,1-4H3

4.3 InChlKey

MECJGSAIRDLPQG-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCCC1=CC2=C(C=C1)C=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(C=C1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CC1=CC=C(C=C1)OC2=CC=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CC1=C(C=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O)Br

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