| SpectraBase Compound ID | GUi6mnnbDOp |
|---|---|
| InChI | InChI=1S/C33H58O2Si/c1-23(2)12-11-13-25(4)29-18-19-30-28(31(34)20-21-33(29,30)8)17-15-26-22-27(16-14-24(26)3)35-36(9,10)32(5,6)7/h15,17,23,25,27,29-31,34H,3,11-14,16,18-22H2,1-2,4-10H3/b26-15+,28-17+/t25-,27+,29-,30?,31-,33-/m1/s1 |
| InChIKey | HSPHZNVELBWDHX-IMUPOFPYSA-N |
| Mol Weight | 514.9 g/mol |
| Molecular Formula | C33H58O2Si |
| Exact Mass | 514.420608 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lj8bRHmKDMK |
|---|---|
| Name | 9.alpha.-(Hydroxy)-(7E)-vitamin D3 tert-Butyldimethylsilyl Ether |
| Alternate Name(s) | (3S,5E,7E,9alpha)-3-{[tert-butyl(dimethyl)silyl]oxy}-9,10-secocholesta-5,7,10-trien-9-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H58O2Si |
| InChI | InChI=1S/C33H58O2Si/c1-23(2)12-11-13-25(4)29-18-19-30-28(31(34)20-21-33(29,30)8)17-15-26-22-27(16-14-24(26)3)35-36(9,10)32(5,6)7/h15,17,23,25,27,29-31,34H,3,11-14,16,18-22H2,1-2,4-10H3/b26-15+,28-17+/t25-,27+,29-,30?,31-,33-/m1/s1 |
| InChIKey | HSPHZNVELBWDHX-IMUPOFPYSA-N |
| Molecular Weight | 514.910 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C(\C1=C\C=C\1C(CC[C@](O[Si](C(C)(C)C)(C)C)(C1)[H])=C)CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C)[H] |
| SPLASH | splash10-00b9-9511000000-da8321dc05fc74e32f81 |
| Source of Spectrum | J-56-3586-14 |
| Wiley ID | 1401233 |