| SpectraBase Compound ID | 1q1Nyj0vNs9 |
|---|---|
| InChI | InChI=1S/C28H48N2O2/c1-17(29(6)7)22-18(31)14-26(5)21-11-10-20-24(2,3)23(30(8)9)19(32)15-28(20)16-27(21,28)13-12-25(22,26)4/h10-11,17-23,31-32H,12-16H2,1-9H3/t17?,18-,19-,20+,21+,22+,23+,25-,26+,27+,28-/m1/s1 |
| InChIKey | KQPMIGNYSJUHRD-UICNOTTRSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C28H48N2O2 |
| Exact Mass | 444.371579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ALPX3lYCzKR |
|---|---|
| Name | Cyclonataminol |
| Appearance | Yellow amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48N2O2 |
| InChI | InChI=1S/C28H48N2O2/c1-17(29(6)7)22-18(31)14-26(5)21-11-10-20-24(2,3)23(30(8)9)19(32)15-28(20)16-27(21,28)13-12-25(22,26)4/h10-11,17-23,31-32H,12-16H2,1-9H3/t17?,18-,19-,20+,21+,22+,23+,25-,26+,27+,28-/m1/s1 |
| InChIKey | KQPMIGNYSJUHRD-UICNOTTRSA-N |
| Instrument Name | Hewlett-Packard 5989B |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100494u |
| Molecular Weight | 444.704 g/mol |
| Optical Rotation | [a]D20 = -70 (c = 0.05, CHCl3) |
| Reported Formula | C28H48N2O2 |
| SMILES | O[C@]1([C@@]([C@@]2([C@]([C@@]3(C=C[C@]4(C([C@]([C@@](C[C@]44[C@@]3(CC2)C4)(O)[H])(N(C)C)[H])(C)C)[H])[H])(C1)C)C)(C(C)N(C)C)[H])[H] |
| SPLASH | splash10-00di-9000000000-3f4af33219148ec804e5 |
| Source of Spectrum | G4-73-1862-3 |
| Wiley ID | 1848898 |