| SpectraBase Compound ID | KdvfVG0Sw1J |
|---|---|
| InChI | InChI=1S/C30H50N2O3/c1-18(2)15-28(34)31-26-16-21-9-10-22-24-12-11-23(19(3)32(7)8)29(24,5)14-13-25(22)30(21,6)17-27(26)35-20(4)33/h15,19,21-27H,9-14,16-17H2,1-8H3,(H,31,34)/t19?,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1 |
| InChIKey | RQCWQSRMTYYKEX-OYOSVXDISA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H50N2O3 |
| Exact Mass | 486.382143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nZ2r0LoSII |
|---|---|
| Name | Hookerianamide C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.382143475 u |
| Formula | C30H50N2O3 |
| InChI | InChI=1S/C30H50N2O3/c1-18(2)15-28(34)31-26-16-21-9-10-22-24-12-11-23(19(3)32(7)8)29(24,5)14-13-25(22)30(21,6)17-27(26)35-20(4)33/h15,19,21-27H,9-14,16-17H2,1-8H3,(H,31,34)/t19?,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1 |
| InChIKey | RQCWQSRMTYYKEX-OYOSVXDISA-N |
| Molecular Weight | 486.741 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C(N(C)C)C)[H])[H])([H])CC[C@]2(C[C@@](NC(C=C(C)C)=O)([C@](C1)(OC(=O)C)[H])[H])[H])[H])C |