| SpectraBase Compound ID | JyM9OzEmEkA |
|---|---|
| InChI | InChI=1S/C47H94O4Si4/c1-21-55(22-2,23-3)51-46(11,12)32-24-26-36(4)39-30-31-40-38(27-25-33-47(39,40)13)29-28-37-34-41(48-53(17,18)44(5,6)7)43(50-52(14,15)16)42(35-37)49-54(19,20)45(8,9)10/h28-29,36,39-43H,21-27,30-35H2,1-20H3/b37-28-,38-29+/t36-,39?,40?,41-,42-,43?,47-/m1/s1 |
| InChIKey | COLJRYWVWDDPOK-BBTTWKBPSA-N |
| Mol Weight | 835.6 g/mol |
| Molecular Formula | C47H94O4Si4 |
| Exact Mass | 834.622918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IMZsNV4twrU |
|---|---|
| Name | 3,5-Bis(tert-butyldimethylsilyloxy)-4-trimethylsilyloxy-25-triethylsiloxy-19-norvitamin D3 dev. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H94O4Si4 |
| InChI | InChI=1S/C47H94O4Si4/c1-21-55(22-2,23-3)51-46(11,12)32-24-26-36(4)39-30-31-40-38(27-25-33-47(39,40)13)29-28-37-34-41(48-53(17,18)44(5,6)7)43(50-52(14,15)16)42(35-37)49-54(19,20)45(8,9)10/h28-29,36,39-43H,21-27,30-35H2,1-20H3/b37-28-,38-29+/t36-,39?,40?,41-,42-,43?,47-/m1/s1 |
| InChIKey | COLJRYWVWDDPOK-BBTTWKBPSA-N |
| Molecular Weight | 835.605 g/mol |
| SMILES | C1([C@](O[Si](C(C)(C)C)(C)C)(CC(C[C@]1(O[Si](C(C)(C)C)(C)C)[H])=C\C=C\1C2[C@](C([C@@](CCCC(O[Si](CC)(CC)CC)(C)C)(C)[H])CC2)(C)CCC1)[H])O[Si](C)(C)C |
| SPLASH | splash10-0udj-0000041910-ded2e6ce47e96ed83b6b |
| Source of Spectrum | E1-37-3736-13 |
| Wiley ID | 1575394 |