5,​6-​Dihydro-​4-​methyl-​6-​(2,​6,​6-​trimethyl-​1-​cyclohexen-​1-​yl)​-2H-​pyran-​2-​one

CAS: 14393-37-4

Ref. TR-D450788

Informação sobre produto

• Nome: 5,​6-​Dihydro-​4-​methyl-​6-​(2,​6,​6-​trimethyl-​1-​cyclohexen-​1-​yl)​-2H-​pyran-​2-​one
• Sinónimos: 5-Hydroxy-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-pentenoic Acid δ-Lactone
• Marca: TRC
• Descrição: Applications 5,​6-​Dihydro-​4-​methyl-​6-​(2,​6,​6-​trimethyl-​1-​cyclohexen-​1-​yl)​-2H-​pyran-​2-​one is an intermediate in synthesizing 9-cis,13-cis-Retinoic Acid (R245015), an endogenous retinoid that induces liver fibrosis via the activation of latent transforming growth factor-β. A major plasma metabolite of 9-cis Retinoic Acid (R245000).References Okuno, M. et al.: Kanxo, 39, 224 (1998); Nagase, S.: Gidu Gaig. Igak. Kiyo, 47, 25 (1999); Tzimas, G. et al.: Drug Metab. Disp., 22, 928 (1994); Horst, R.L. et al.: Biochemistry, 34, 1203 (1995)

Propriedades químicas

• Peso molecular: 528.631
• Fórmula: C₂₆H₃₇FO₈S
• Cor/forma: Neat
• InChI: InChI=1S/C26H37FO8S/c1-6-22(31)35-26(21(30)14-34-36(5,32)33)15(2)11-19-18-8-7-16-12-17(28)9-10-23(16,3)25(18,27)20(29)13-24(19,26)4/h12,15,18-20,29H,6-11,13-14H2,1-5H3/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1
• Chave InChI: InChIKey=PKEHQWHKIAEJLP-SOMXGXJRSA-N
• SMILES: CCC(=O)O[C@]1(C(=O)COS(C)(=O)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C