199798-84-0
199798-84-0 結(jié)構(gòu)式
基本信息
中文別名
艾洛骨化醇化合物 T19869
英文別名
BXL 628Ro 26-9228
ELOCALCITOL
Ellocalciferol
(1R,3E,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
Cyclohexanol, 3-[(2E)-2-[(3aS,7aS)-1-[(1S,3E)-5-ethyl-5-hydroxy-1-methyl-3-hepten-1-yl]-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-, (1R,3Z,5S)-
所屬類別
分析化學(xué)：藥典標(biāo)準(zhǔn)品和雜質(zhì)標(biāo)準(zhǔn)品物理化學(xué)性質(zhì)
沸點(diǎn)568.3±50.0 °C(Predicted)
密度1.05±0.1 g/cm3(Predicted)
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度Ethanol:20.0(Max Conc. mg/mL);45.18(Max Conc. mM)
酸度系數(shù)(pKa)14.04±0.40(Predicted)
形態(tài)結(jié)晶固體
顏色White to off-white
旋光度 (Optical Rotation)[α]/D +97 to +107°, c =c=1 in methanol
InChIKeyLRLWXBHFPGSUOX-GJQYOBCGSA-N
SMILESF[C@H]1C[C@@H](C\C(=C\C=C2\[C@H]3[C@](CCC\2)(C(=CC3)[C@H](C\C=C\C(O)(CC)CC)C)C)\C1=C)O