chem960> 130447-37-9
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)-結構式圖片|130447-37-9結構式圖片

130447-37-9

1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)-

CAS No:130447-37-9
MF:C26H44O3
MW:404.62576
  1. 名稱和標識符
  2. 物化性質
名稱和標識符
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S)- (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol 1,25-dihydroxy-19-norvitamin D3 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-... 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethyl 19-NORCALCITROL (7E)-(1R,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol 19-Nor-22(E) 19-Nor-9,10-secocholesta-5,7-diene-1,3,25-triol, (1alpha,3beta,7E)- 1alpha,25-(OH)2-19-Nor-vitamin D3 1alpha,25-dihydroxy-19-norcholecalciferol 1alpha,25-dihydroxy-19-norvitamin D3 20-Epi-19-nor-1,25-(OH)2 D3 CHEMBL119386 Ro 27-5256 19-Norcalcitrol
+ 展開
  • Inchi:InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24+,26-/m1/s1
  • InChIKey:PKFBWEUIKKCWEW-WEZTXPJVSA-N
  • SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@H](C[C@@H](C3)O)O)/CCC[C@]12C
物化性質
計算特性
  • 氫鍵供體數量: 3
  • 氫鍵受體數目: 3
  • 重原子數: 29
  • 可旋轉化學鍵的數目: 6
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