| SpectraBase Compound ID | EXDA9WCRQVL |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1 |
| InChIKey | BJYLYJCXYAMOFT-RSFVBTMBSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZ5PpELBvNv |
|---|---|
| Name | 1-Alpha,24(R)-Dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1 |
| InChIKey | BJYLYJCXYAMOFT-RSFVBTMBSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@@]([C@](CC2)([C@@](CC[C@](C(C)C)(O)[H])(C)[H])[H])(CCC1)C)[H])(O)[H])[H] |
| SPLASH | splash10-0zfr-0000090000-3710a0f990f9efa08f32 |
| Source of Spectrum | F-53-4710-5e |
| Wiley ID | 801410 |