| SpectraBase Compound ID | FqXhAKMCxs9 |
|---|---|
| InChI | InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h9,17-19,21-26,29-30H,7-8,10-16H2,1-6H3/t18-,19?,21-,22?,23?,24?,25-,26?,27?,28?/m0/s1 |
| InChIKey | IGLXIHMNQDKKLE-LMXFNIKSSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C28H48O2 |
| Exact Mass | 416.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GaXVvxUUAZL |
|---|---|
| Name | (24S)-24-Methylcholes-5-ene-3.beta.,16.beta.-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O2 |
| InChI | InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h9,17-19,21-26,29-30H,7-8,10-16H2,1-6H3/t18-,19?,21-,22?,23?,24?,25-,26?,27?,28?/m0/s1 |
| InChIKey | IGLXIHMNQDKKLE-LMXFNIKSSA-N |
| Molecular Weight | 416.690 g/mol |
| SMILES | O[C@]1(CCC2(C(=CCC3C4C(C([C@](C4)(O)[H])C(CC[C@@](C(C)C)(C)[H])C)(CCC23)C)C1)C)[H] |
| SPLASH | splash10-016r-9744100000-4f7990e3e0cb2cf99dfb |
| Source of Spectrum | Y1-35-824-1 |
| Wiley ID | 1526848 |