| SpectraBase Compound ID | rRSYQpDmYi |
|---|---|
| InChI | InChI=1S/C67H88O6SSi2/c1-50(45-56(48-66(9,10)71-49-70-12)74(68,69)55-30-18-13-19-31-55)61-42-43-62-52(29-28-44-67(61,62)11)40-41-53-46-54(72-75(64(3,4)5,57-32-20-14-21-33-57)58-34-22-15-23-35-58)47-63(51(53)2)73-76(65(6,7)8,59-36-24-16-25-37-59)60-38-26-17-27-39-60/h13-27,30-41,50,54,56,61-63H,2,28-29,42-49H2,1,3-12H3/b52-40+,53-41+/t50-,54-,56?,61-,62?,63-,67-/m1/s1 |
| InChIKey | LFROTHJIRIUNRT-VCXLOKHZSA-N |
| Mol Weight | 1077.7 g/mol |
| Molecular Formula | C67H88O6SSi2 |
| Exact Mass | 1076.584015 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I8K2WekQivY |
|---|---|
| Name | (5E)-23-Phenylsulfonyl-1.alpha.,25-dihydroxyvitamin D3 1,3-Di-tert-butyldiphenylsilyl 25-methoxymethyl Ether |
| Alternate Name(s) | {[(1R,3E,5R)-3-{2-[(1R,4E,7aR)-1-[(2R)-4-(benzenesulfonyl)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-5-[(tert-butyldiphenylsilyl)oxy]-2-methylidenecyclohexyl]oxy}(tert-butyl)diphenylsilane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C67H88O6SSi2 |
| InChI | InChI=1S/C67H88O6SSi2/c1-50(45-56(48-66(9,10)71-49-70-12)74(68,69)55-30-18-13-19-31-55)61-42-43-62-52(29-28-44-67(61,62)11)40-41-53-46-54(72-75(64(3,4)5,57-32-20-14-21-33-57)58-34-22-15-23-35-58)47-63(51(53)2)73-76(65(6,7)8,59-36-24-16-25-37-59)60-38-26-17-27-39-60/h13-27,30-41,50,54,56,61-63H,2,28-29,42-49H2,1,3-12H3/b52-40+,53-41+/t50-,54-,56?,61-,62?,63-,67-/m1/s1 |
| InChIKey | LFROTHJIRIUNRT-VCXLOKHZSA-N |
| Molecular Weight | 1077.665 g/mol |
| SMILES | C(S(=O)(=O)c1ccccc1)(C[C@]([C@@]1([C@@]2(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)CCC2)CC1)C)[H])(C)[H])CC(OCOC)(C)C |
| SPLASH | splash10-0002-0900000000-4f52f388853b7fd2b14c |
| Source of Spectrum | E2-49-315-10 |
| Wiley ID | 1555646 |