(16Alpha,17Beta)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate

CAS: 106257-01-6

Ref. TR-E106250

Información del producto

• Nombre: (16Alpha,17Beta)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate
• Sinónimos: (8R,9S,13S,14S,16R,17R)-3,4-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diyl Diacetate
• Marca: TRC

Descripción

Applications (16α,​17β)​- Estra-​1,​3,​5(10)​-​triene-​3,​4,​16,​17-​tetrol-16,17-diacetate is an intermediate in the synthesis of 2-Hydroxyestriol (H949313), which is used to characterize oxidative metabolites of 17β-estradiol and estrone formed by 15 selectively expressed human cytochrome P 450 isoforms.
References Lee, A., et al.: Endocrinol., 144, 3382 (2003);

Propiedades químicas

• Peso molecular: 388.45
• Fórmula: C₂₂H₂₈O₆
• Color/Forma: Neat
• InChI: InChI=1S/C22H28O6/c1-11(23)27-19-10-17-15-4-5-16-13(6-7-18(25)20(16)26)14(15)8-9-22(17,3)21(19)28-12(2)24/h6-7,14-15,17,19,21,25-26H,4-5,8-10H2,1-3H3/t14-,15-,17+,19-,21+,22+/m1/s1
• Clave InChI: InChIKey=HHVOTIQUQBHNAA-PMFYSIIHSA-N
• SMILES: CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4c(ccc(O)c4O)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O