| SpectraBase Compound ID | 5uY8iJPmidW |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)23-13-14-24-22(10-7-15-27(23,24)5)12-11-21-16-25(28)20(4)26(29)17-21/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b22-12+/t19-,23+,24-,25+,26+,27+/m0/s1 |
| InChIKey | NWVPBQBNGUOQRG-YGYOEYHUSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | sDnFxzJ36X |
|---|---|
| Name | (20S)-1.alpha.-hydroxy-2-methylene-19-norvitamin D3 |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)23-13-14-24-22(10-7-15-27(23,24)5)12-11-21-16-25(28)20(4)26(29)17-21/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b22-12+/t19-,23+,24-,25+,26+,27+/m0/s1 |
| InChIKey | NWVPBQBNGUOQRG-YGYOEYHUSA-N |
| Ionization Type | EI |
| Molecular Weight | 400.647 g/mol |
| SMILES | O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C/1CCC[C@@]2([C@@](CC[C@@]12[H])([H])[C@](CCCC(C)C)(C)[H])C)[H] |
| SPLASH | splash10-0uy0-0094600000-a80f40ddda6d47dd63ed |
| Source of Spectrum | CA2531505C |
| Wiley ID | 1855027 |