反式骨化三醇

CAS号
73837-24-8
CCD编号
CCD01673277
分子式
C39 H72 O3 Si2
分子量
645.167

基本信息

产品名称: 反式骨化三醇
CAS: 73837-24-8
中文同义词: 反式骨化三醇 ; (1R,3S,5E)-4-亚甲基-5-[(2E)-2-[(1R,3aS,7aS)-八氢-1-[(1R)-5-羟基-1,5-二甲基己基]-7a-甲基-4H-茚-4-亚基]亚乙基]-1,3-环己二醇
英文同义词: 6-(4-(2-[3S,5R-BIS-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-2-METHYLENE-CYCLOHEXYLIDENE]-ETHYLIDENE)-7R-METHYL-OCTAHYDRO-INDEN-1R-YL)-2-METHYL-HEPTAN-2-OL ; INTERMEDIATE OF CALCITRIOL
MDL号: MFCD12546627
氢键受体数量: 3
氢键供体数量: 1
Smile: C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChi: InChI=1S/C39H72O3Si2/c1-28(18-16-24-38(9,10)40)33-22-23-34-30(19-17-25-39(33,34)11)20-21-31-26-32(41-43(12,13)36(3,4)5)27-35(29(31)2)42-44(14,15)37(6,7)8/h20-21,28,32-35,40H,2,16-19,22-27H2,1,3-15H3/b30-20+,31-21-/t28-,32-,33-,34?,35+,39-/m1/s1
InChiKey: InChIKey=HAYVDHBKYABBBI-WLBOTDSTSA-N

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