| SpectraBase Compound ID | 7XAY8K03RHQ |
|---|---|
| InChI | InChI=1S/C44H66O3Si/c1-9-37-40(45)30-33(24-25-34-19-17-29-44(8)38(26-27-39(34)44)32(2)18-16-28-43(6,7)46)31-41(37)47-48(42(3,4)5,35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-15,20-25,32,37-41,45-46H,9,16-19,26-31H2,1-8H3/b33-24+,34-25+/t32-,37-,38-,39+,40-,41-,44-/m1/s1 |
| InChIKey | KQFQKZXDSJHKFV-XKRXRZJLSA-N |
| Mol Weight | 671.1 g/mol |
| Molecular Formula | C44H66O3Si |
| Exact Mass | 670.478123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKZNZhib8Xe |
|---|---|
| Name | 2.alpha.-Ethyl-3-T-butyldiphenylsilyloxy-1.alpha.,25-dihydroxy-19-norvitamin D3 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 670.478122517 u |
| Formula | C44H66O3Si |
| InChI | InChI=1S/C44H66O3Si/c1-9-37-40(45)30-33(24-25-34-19-17-29-44(8)38(26-27-39(34)44)32(2)18-16-28-43(6,7)46)31-41(37)47-48(42(3,4)5,35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-15,20-25,32,37-41,45-46H,9,16-19,26-31H2,1-8H3/b33-24+,34-25+/t32-,37-,38-,39+,40-,41-,44-/m1/s1 |
| InChIKey | KQFQKZXDSJHKFV-XKRXRZJLSA-N |
| SMILES | [C@@]12([C@](\C(=C\C=C\3C[C@@](O[Si](C(C)(C)C)(C4=CC=CC=C4)C=4C=CC=CC4)([C@@]([C@@](C3)(O)[H])(CC)[H])[H])CCC2)(CC[C@@]1([C@@](CCCC(O)(C)C)(C)[H])[H])[H])C |