| SpectraBase Compound ID | 6t1PkZX82Gv |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28-29/h17-19,21-23,25,29H,6-16H2,1-5H3/b28-24+/t19-,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | XRMAWNDMMMGAKS-CFMSCDOGSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82b4takuIB6 |
|---|---|
| Name | Cholest-5-en-7-one, oxime, (7E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.350115072 u |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28-29/h17-19,21-23,25,29H,6-16H2,1-5H3/b28-24+/t19-,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | XRMAWNDMMMGAKS-CFMSCDOGSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(\C(C=C4[C@]([C@]3(CC2)[H])(C)CCCC4)=N\O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |