| SpectraBase Compound ID | 6npzswL03YN |
|---|---|
| InChI | InChI=1S/C35H64O4Si2/c1-25(24-37-26(2)36)31-18-19-32-28(15-14-20-35(31,32)9)17-16-27-21-29(38-40(10,11)33(3,4)5)23-30(22-27)39-41(12,13)34(6,7)8/h16-17,25,29-32H,14-15,18-24H2,1-13H3/b28-17+/t25-,29-,30-,31?,32+,35-/m1/s1 |
| InChIKey | YCHUKEHZMIJRQC-XZANKUESSA-N |
| Mol Weight | 605.1 g/mol |
| Molecular Formula | C35H64O4Si2 |
| Exact Mass | 604.434314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cn42ts65Tqe |
|---|---|
| Name | (1R,3R,13R)-3,5-bis(Tert-butyldimethylsiloxy)-22-acetoxy-19-norvitamin-D3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 604.434313607 u |
| Formula | C35H64O4Si2 |
| InChI | InChI=1S/C35H64O4Si2/c1-25(24-37-26(2)36)31-18-19-32-28(15-14-20-35(31,32)9)17-16-27-21-29(38-40(10,11)33(3,4)5)23-30(22-27)39-41(12,13)34(6,7)8/h16-17,25,29-32H,14-15,18-24H2,1-13H3/b28-17+/t25-,29-,30-,31?,32+,35-/m1/s1 |
| InChIKey | YCHUKEHZMIJRQC-XZANKUESSA-N |
| Molecular Weight | 605.063 g/mol |
| SMILES | [C@]12([C@](\C(=C\C=C3C[C@@](O[Si](C(C)(C)C)(C)C)(C[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])[H])CCC1)(CCC2[C@@](COC(=O)C)(C)[H])[H])C |