| SpectraBase Compound ID | EvgxT3YDR9B |
|---|---|
| InChI | InChI=1S/C36H62F6O3Si3/c1-25(15-13-22-34(35(37,38)39,36(40,41)42)45-48(10,11)12)30-19-20-31-27(16-14-21-33(30,31)3)17-18-28-23-29(43-46(4,5)6)24-32(26(28)2)44-47(7,8)9/h17-18,25,29-32H,2,13-16,19-24H2,1,3-12H3/b27-17+,28-18-/t25?,29?,30?,31?,32-,33+/m0/s1 |
| InChIKey | TUKRSHUNSPRKLT-SFMLZFKZSA-N |
| Mol Weight | 741.1 g/mol |
| Molecular Formula | C36H62F6O3Si3 |
| Exact Mass | 740.391094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HFerHTdQG |
|---|---|
| Name | F6-1,25-( OH)2-Vitamin D3 - tris(trimethylsilyl) derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H62F6O3Si3 |
| InChI | InChI=1S/C36H62F6O3Si3/c1-25(15-13-22-34(35(37,38)39,36(40,41)42)45-48(10,11)12)30-19-20-31-27(16-14-21-33(30,31)3)17-18-28-23-29(43-46(4,5)6)24-32(26(28)2)44-47(7,8)9/h17-18,25,29-32H,2,13-16,19-24H2,1,3-12H3/b27-17+,28-18-/t25?,29?,30?,31?,32-,33+/m0/s1 |
| InChIKey | TUKRSHUNSPRKLT-SFMLZFKZSA-N |
| Molecular Weight | 741.134 g/mol |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(O[Si](C)(C)C)CCCC(C1[C@@]2(C(\C(=C\C=C/3C([C@](CC(C3)O[Si](C)(C)C)(O[Si](C)(C)C)[H])=C)CCC2)CC1)C)C |
| SPLASH | splash10-11b9-2930033100-e0053a4bfc649284abb2 |
| Source of Spectrum | KO-23-36-0 |
| Synonyms | (S)-4-Methylene-5-[2-[(R)-7a-methyl-1-(6,6,6-trifluoro-5-hydroxy-1-methyl-5-trifluoromethyl-hexyl)-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-cyclohexane-1,3-diol |
| Wiley ID | 747165 |