| SpectraBase Compound ID | 9QKgizrb4e3 |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-6-22-25(29)17-20(18-26(22)30)11-12-21-10-8-16-28(5)23(13-14-24(21)28)19(2)9-7-15-27(3,4)31/h11-12,19,22-26,29-31H,6,8-10,13-14,16-18H2,1-5H3/b20-11-,21-12+/t19-,22?,23-,24-,25-,26-,28-/m1/s1 |
| InChIKey | HCIBHYOOUSIIPF-YBOVFTTJSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Byqfi3ljGYu |
|---|---|
| Name | 14-epi-2.alpha.-Ethyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3 |
| Alternate Name(s) | 14-epi-2.beta.-Ethyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-6-22-25(29)17-20(18-26(22)30)11-12-21-10-8-16-28(5)23(13-14-24(21)28)19(2)9-7-15-27(3,4)31/h11-12,19,22-26,29-31H,6,8-10,13-14,16-18H2,1-5H3/b20-11-,21-12+/t19-,22?,23-,24-,25-,26-,28-/m1/s1 |
| InChIKey | HCIBHYOOUSIIPF-YBOVFTTJSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | O[C@]1(C([C@@](CC(C1)=C\C=C\1[C@@]2([C@@]([C@](CC2)([C@@](CC#CC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])CC)[H] |
| SPLASH | splash10-0006-9500000000-1e22a4eb26a4ed1f7d74 |
| Source of Spectrum | H-2005-4426-11 |
| Wiley ID | 1587880 |