| SpectraBase Compound ID | LKVO5pDNFNQ |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-17(7-4-5-14-26)21-11-12-22-20(8-6-13-25(21,22)3)10-9-19-15-23(27)18(2)24(28)16-19/h9-10,17,21-24,26-28H,2,4-8,11-16H2,1,3H3/b20-10+/t17-,21+,22-,23+,24+,25+/m0/s1 |
| InChIKey | YKAGNRTWXXOESX-RUAACOBRSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2xUCQzGTQcl |
|---|---|
| Name | (20S)-2-methylene-19,26,27-trinor-1.alpha.,25-dihydroxycalciferol |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-17(7-4-5-14-26)21-11-12-22-20(8-6-13-25(21,22)3)10-9-19-15-23(27)18(2)24(28)16-19/h9-10,17,21-24,26-28H,2,4-8,11-16H2,1,3H3/b20-10+/t17-,21+,22-,23+,24+,25+/m0/s1 |
| InChIKey | YKAGNRTWXXOESX-RUAACOBRSA-N |
| Ionization Type | EI |
| Molecular Weight | 388.592 g/mol |
| SMILES | O[C@]1(C([C@@](CC(C1)=C\C=C/1CCC[C@@]2([C@@](CC[C@@]12[H])([H])[C@](CCCCO)(C)[H])C)(O)[H])=C)[H] |
| SPLASH | splash10-01pc-3922000000-c6b9b579ba94fa7d149f |
| Source of Spectrum | US8030295B2 |
| Wiley ID | 1844471 |