| SpectraBase Compound ID | L5LuIU0eWOP |
|---|---|
| InChI | InChI=1S/C27H43FO2/c1-18(2)7-5-8-19(3)24-12-13-25-20(9-6-14-27(24,25)4)10-11-21-15-22(29)16-26(30)23(21)17-28/h10,15,17-19,22,24-26,29-30H,5-9,11-14,16H2,1-4H3/b20-10+,23-17-/t19-,22-,24?,25?,26+,27-/m1/s1 |
| InChIKey | XVUCPCTVFRCIQP-LZMSHTFPSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C27H43FO2 |
| Exact Mass | 418.324709 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1nGhTee1p1k |
|---|---|
| Name | (5Z,7E,10Z)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43FO2 |
| InChI | InChI=1S/C27H43FO2/c1-18(2)7-5-8-19(3)24-12-13-25-20(9-6-14-27(24,25)4)10-11-21-15-22(29)16-26(30)23(21)17-28/h10,15,17-19,22,24-26,29-30H,5-9,11-14,16H2,1-4H3/b20-10+,23-17-/t19-,22-,24?,25?,26+,27-/m1/s1 |
| InChIKey | XVUCPCTVFRCIQP-LZMSHTFPSA-N |
| Molecular Weight | 418.637 g/mol |
| SMILES | O[C@]1(C[C@@](C=C(\C1=C/F)C\C=C\1C2[C@@](C(CC2)[C@@](CCCC(C)C)(C)[H])(CCC1)C)(O)[H])[H] |
| SPLASH | splash10-000b-0958100000-8565070bf9fb3e48829a |
| Source of Spectrum | E2-48-1491-13 |
| Wiley ID | 1555348 |