![[2,4,4-2H(3)]Cholest-1-en-3-one Oxime](/api/spectrum/5C9V6lYEa1/structure.png?h=300&w=458 "[2,4,4-2H(3)]Cholest-1-en-3-one Oxime")
| SpectraBase Compound ID | 9fYaO9MohSb |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2 |
| InChIKey | OLTJIGUXZOBJMV-DJECQMILSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H42D3NO |
| Exact Mass | 402.368945 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5C9V6lYEa1 |
|---|---|
| Name | [2,4,4-2H(3)]Cholest-1-en-3-one Oxime |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42D3NO |
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2 |
| InChIKey | OLTJIGUXZOBJMV-DJECQMILSA-N |
| Molecular Weight | 402.681 g/mol |
| SMILES | O\N=C\1C(C2[C@](C=C1[D])([C@@]1([C@@]([C@]3([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC3)(C)CC1)[H])([H])CC2)[H])C)([D])[D] |
| SPLASH | splash10-000i-0009000000-ef870e45bd60164e1130 |
| Source of Spectrum | KC-1992-431-11 |
| Wiley ID | 776128 |