| SpectraBase Compound ID | K9ePvPYJx2B |
|---|---|
| InChI | InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14+,28-17+,29-18-/t25?,27-,30?,31-,32+,34-/m1/s1 |
| InChIKey | SPHUIJWPZSWHEE-DHWNJCEVSA-N |
| Mol Weight | 510.9 g/mol |
| Molecular Formula | C34H58OSi |
| Exact Mass | 510.425693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6OWnYvAfq0p |
|---|---|
| Name | Ergocalciferol dmbs I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 510.425693022 u |
| Formula | C34H58OSi |
| InChI | InChI=1S/C34H58OSi/c1-24(2)25(3)14-15-27(5)31-20-21-32-28(13-12-22-34(31,32)9)17-18-29-23-30(19-16-26(29)4)35-36(10,11)33(6,7)8/h14-15,17-18,24-25,27,30-32H,4,12-13,16,19-23H2,1-3,5-11H3/b15-14+,28-17+,29-18-/t25?,27-,30?,31-,32+,34-/m1/s1 |
| InChIKey | SPHUIJWPZSWHEE-DHWNJCEVSA-N |
| Molecular Weight | 510.922 g/mol |
| SMILES | [C@]12([C@@]([C@](CC2)([C@@](\C=C\C(C(C)C)C)(C)[H])[H])(CCC\C1=C\C=C\1CC(O[Si](C(C)(C)C)(C)C)CCC1=C)C)[H] |