| SpectraBase Compound ID | C4q0LQ3yzzE |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23-,24-,25-,27-/m1/s1 |
| InChIKey | OZPNRDQPQFOURL-BMJMDILJSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EfSxNJSKtN4 |
|---|---|
| Name | 14-epi-2.beta.-Methyl-19-nor-1.alpha.,25-dihydroxyvitamin D3 |
| Alternate Name(s) | 14-epi-2.alpha.-Methyl-19-nor-1.alpha.,25-dihydroxyvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23-,24-,25-,27-/m1/s1 |
| InChIKey | OZPNRDQPQFOURL-BMJMDILJSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | O[C@]1(C([C@@](CC(C1)=C\C=C\1[C@@]2([C@@]([C@](CC2)([C@@](CCCC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])C)[H] |
| SPLASH | splash10-0a59-9431100000-b868d332f9087c714e3b |
| Source of Spectrum | H-2005-4425-7 |
| Wiley ID | 1587888 |