| SpectraBase Compound ID | 1GqpoLbMeAU |
|---|---|
| InChI | InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(31-6)16-20(29-30)17-28(25,5)24(21)14-15-27(22,23)4/h18-19,21-26,30H,7-17H2,1-6H3/b29-20-/t19-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1/i16D/t16-,19-,21+,22-,23+,24+,25+,26-,27-,28- |
| InChIKey | LSACMXITTOJWEQ-LKUBWCOJSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48DNO2 |
| Exact Mass | 432.382607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 501cZppiOmi |
|---|---|
| Name | (E)-3.alpha.-Deuterio-4.alpha.-methoxy-5.alpha.-Cholestan-2-one oxime |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48DNO2 |
| InChI | InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(31-6)16-20(29-30)17-28(25,5)24(21)14-15-27(22,23)4/h18-19,21-26,30H,7-17H2,1-6H3/b29-20-/t19-,21+,22-,23+,24+,25+,26-,27-,28-/m1/s1/i16D/t16-,19-,21+,22-,23+,24+,25+,26-,27-,28- |
| InChIKey | LSACMXITTOJWEQ-LKUBWCOJSA-N |
| Molecular Weight | 432.711 g/mol |
| SMILES | O\N=C/1C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](OC)([C@@]1([D])[H])[H])[H])[H])C |
| SPLASH | splash10-0f89-7103900000-ea1a7a49ffd59cec728a |
| Source of Spectrum | KC-0-3247-45 |
| Wiley ID | 782652 |