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

5-[3-[2-[3-(4-chlorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]-4-fluorophenyl]-3-(hydroxymethyl)pentan-2-one;5-[3-[2-[3-(3-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(4-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)-3-methylpentan-2-one;5-[3-[2-[3-(2-fluorophenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-(hydroxymethyl)pentan-2-one;3-(hydroxymethyl)-5-[3-[2-[3-(4-methoxyphenyl)-2-methylphenyl]ethenyl]-4-methylphenyl]-3-methylpentan-2-one;3-(hydroxymethyl)-3-methyl-5-[4-methyl-3-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]pentan-2-one

4.2 InChl

InChI=1S/C30H34O3.C29H31ClO2.C29H29FO4.2C29H31FO2.C29H32O2.C28H29FO2/c1-21-9-10-24(17-18-30(4,20-31)23(3)32)19-27(21)12-11-25-7-6-8-29(22(25)2)26-13-15-28(33-5)16-14-26;1-20-8-9-23(16-17-29(4,19-31)22(3)32)18-26(20)11-10-24-6-5-7-28(21(24)2)25-12-14-27(30)15-13-25;1-19-22(4-3-5-26(19)23-11-13-28-29(17-23)34-15-14-33-28)9-10-24-16-21(7-12-27(24)30)6-8-25(18-31)20(2)32;1-20-11-12-23(15-16-29(4,19-31)22(3)32)17-25(20)14-13-24-7-6-10-28(21(24)2)26-8-5-9-27(30)18-26;1-20-8-9-23(16-17-29(4,19-31)22(3)32)18-26(20)11-10-24-6-5-7-28(21(24)2)25-12-14-27(30)15-13-25;1-21-13-14-24(17-18-29(4,20-30)23(3)31)19-27(21)16-15-25-11-8-12-28(22(25)2)26-9-6-5-7-10-26;1-19-11-12-22(13-14-25(18-30)21(3)31)17-24(19)16-15-23-7-6-9-26(20(23)2)27-8-4-5-10-28(27)29/h6-16,19,31H,17-18,20H2,1-5H3;5-15,18,31H,16-17,19H2,1-4H3;3-5,7,9-13,16-17,25,31H,6,8,14-15,18H2,1-2H3;5-14,17-18,31H,15-16,19H2,1-4H3;5-15,18,31H,16-17,19H2,1-4H3;5-16,19,30H,17-18,20H2,1-4H3;4-12,15-17,25,30H,13-14,18H2,1-3H3

4.3 InChlKey

JTRRTAHTZSQJEI-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=C(C=C(C=C1)CCC(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=CC=C3F)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=CC=C3)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)OC)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)F)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC=C(C=C3)Cl)C.CC1=C(C=C(C=C1)CCC(C)(CO)C(=O)C)C=CC2=C(C(=CC=C2)C3=CC(=CC=C3)F)C.CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)C=CC4=C(C=CC(=C4)CCC(CO)C(=O)C)F

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