| SpectraBase Compound ID | GMELAP3wLuz |
|---|---|
| InChI | InChI=1S/C34H54N2O2S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(18-20-33(26,5)32(29)19-21-34(30,31)6)35-36-39(37,38)28-13-10-24(3)11-14-28/h10-11,13-14,23,25-26,29-32,36H,7-9,12,15-22H2,1-6H3/b35-27+/t25-,26+,29+,30-,31+,32+,33+,34-/m1/s1 |
| InChIKey | WEYZMRCZHLHLOW-JOEDCMKDSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C34H54N2O2S |
| Exact Mass | 554.3906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArrqP7cbuXn |
|---|---|
| Name | 5Alpha-cholestan-3-one tosylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.390600159 u |
| Formula | C34H54N2O2S |
| InChI | InChI=1S/C34H54N2O2S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(18-20-33(26,5)32(29)19-21-34(30,31)6)35-36-39(37,38)28-13-10-24(3)11-14-28/h10-11,13-14,23,25-26,29-32,36H,7-9,12,15-22H2,1-6H3/b35-27+/t25-,26+,29+,30-,31+,32+,33+,34-/m1/s1 |
| InChIKey | WEYZMRCZHLHLOW-JOEDCMKDSA-N |
| Molecular Weight | 554.878 g/mol |
| SMILES | C1(=CC=C(C=C1)C)S(N\N=C/1CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])[H])C)(=O)=O |