| SpectraBase Compound ID | Lsbu858fSUp |
|---|---|
| InChI | InChI=1S/C30H54N2O3/c1-7-18-31-28(33)20-23-11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)30(26,6)16-15-27(24)29(23,5)17-19-32(34)35/h21-27H,7-20H2,1-6H3,(H,31,33)/t22-,23+,24?,25?,26?,27?,29+,30-/m1/s1 |
| InChIKey | KQESMUMZCRFZNV-LYVCIHDMSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C30H54N2O3 |
| Exact Mass | 490.413444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQe6KqLZSF8 |
|---|---|
| Name | N-Propyl-2-nitro-2,3-seco-5.alpha.-cholestan-3-oic acid - amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.413443604 u |
| Formula | C30H54N2O3 |
| InChI | InChI=1S/C30H54N2O3/c1-7-18-31-28(33)20-23-11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)30(26,6)16-15-27(24)29(23,5)17-19-32(34)35/h21-27H,7-20H2,1-6H3,(H,31,33)/t22-,23+,24?,25?,26?,27?,29+,30-/m1/s1 |
| InChIKey | KQESMUMZCRFZNV-LYVCIHDMSA-N |
| Molecular Weight | 490.773 g/mol |
| SMILES | [C@@]12(C(C3CC[C@]([C@@](C3CC2)(CCN(=O)=O)C)(CC(=O)NCCC)[H])CCC1[C@@](CCCC(C)C)(C)[H])C |