| SpectraBase Compound ID | BHZkePUe0ik |
|---|---|
| InChI | InChI=1S/C60H80O2Si2/c1-44(2)45(3)35-36-46(4)55-39-40-56-48(26-25-41-60(55,56)12)37-38-49-42-50(61-63(58(6,7)8,51-27-17-13-18-28-51)52-29-19-14-20-30-52)43-57(47(49)5)62-64(59(9,10)11,53-31-21-15-22-32-53)54-33-23-16-24-34-54/h13-24,27-38,44-46,50,55-57H,5,25-26,39-43H2,1-4,6-12H3/b36-35+,48-37+,49-38+/t45-,46-,50-,55?,56?,57-,60-/m1/s1 |
| InChIKey | SLJSVYJLCRNFQZ-AVIFNZQQSA-N |
| Mol Weight | 889.5 g/mol |
| Molecular Formula | C60H80O2Si2 |
| Exact Mass | 888.569685 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Af6SQ3dGuR5 |
|---|---|
| Name | (5E)-1.alpha.-Hydroxyvitamin D2 1,3-Di-tert-Butyldiphenylsilyl Ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C60H80O2Si2 |
| InChI | InChI=1S/C60H80O2Si2/c1-44(2)45(3)35-36-46(4)55-39-40-56-48(26-25-41-60(55,56)12)37-38-49-42-50(61-63(58(6,7)8,51-27-17-13-18-28-51)52-29-19-14-20-30-52)43-57(47(49)5)62-64(59(9,10)11,53-31-21-15-22-32-53)54-33-23-16-24-34-54/h13-24,27-38,44-46,50,55-57H,5,25-26,39-43H2,1-4,6-12H3/b36-35+,48-37+,49-38+/t45-,46-,50-,55?,56?,57-,60-/m1/s1 |
| InChIKey | SLJSVYJLCRNFQZ-AVIFNZQQSA-N |
| Molecular Weight | 889.468 g/mol |
| SMILES | [C@]12(C(\C(=C\C=C\3C([C@](O[Si](C(C)(C)C)(c4ccccc4)c4ccccc4)(C[C@](O[Si](C(C)(C)C)(c4ccccc4)c4ccccc4)(C3)[H])[H])=C)CCC1)CCC2[C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])C |
| SPLASH | splash10-0002-0900000000-596482ce41e9614e2511 |
| Source of Spectrum | E2-49-315-6 |
| Synonyms | {[(1R,3E,5R)-3-{2-[(4E,7aR)-1-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-5-[(tert-butyldiphenylsilyl)oxy]-2-methylidenecyclohexyl]oxy}(tert-butyl)diphenylsilane |
| Wiley ID | 1555650 |