| SpectraBase Compound ID | B16b5ds2HJA |
|---|---|
| InChI | InChI=1S/C29H49NO2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-32-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22,24-27H,7-18H2,1-6H3/b30-23+/t20-,22?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RZEVMMJVLIEEAZ-ZRSLYGPZSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C29H49NO2 |
| Exact Mass | 443.37633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vis69H6gVF |
|---|---|
| Name | Cholestanone oxime acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.376329820 u |
| Formula | C29H49NO2 |
| InChI | InChI=1S/C29H49NO2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(30-32-21(4)31)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22,24-27H,7-18H2,1-6H3/b30-23+/t20-,22?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RZEVMMJVLIEEAZ-ZRSLYGPZSA-N |
| Molecular Weight | 443.716 g/mol |
| SMILES | C1\C(CC2[C@](C1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C)=N/OC(C)=O |