| SpectraBase Compound ID | IS9yYd23Bao |
|---|---|
| InChI | InChI=1S/C22H28N2O3/c1-26-17-7-11-24-12-10-21-14-5-3-4-6-16(14)23-22(21)9-8-20(17,19(21)24)13-15(22)18(25)27-2/h3-6,15,17,19,23H,7-13H2,1-2H3/t15-,17-,19-,20+,21+,22-/m0/s1 |
| InChIKey | URDXZVLEWZYTSQ-WAWLGLPPSA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.209993 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DTgwwLXWi9U |
|---|---|
| Name | Kopsamidine B |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O3 |
| InChI | InChI=1S/C22H28N2O3/c1-26-17-7-11-24-12-10-21-14-5-3-4-6-16(14)23-22(21)9-8-20(17,19(21)24)13-15(22)18(25)27-2/h3-6,15,17,19,23H,7-13H2,1-2H3/t15-,17-,19-,20+,21+,22-/m0/s1 |
| InChIKey | URDXZVLEWZYTSQ-WAWLGLPPSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0702234 |
| Molecular Weight | 368.477 g/mol |
| Optical Rotation | [a]D = -46 (c = 0.22, CHCl3) |
| Reported Formula | C22H28N2O3 |
| SMILES | N1[C@@]23[C@]4(c5c1cccc5)[C@@]1([C@@](CC2)([C@](CCN1CC4)(OC)[H])C[C@]3(C(=O)OC)[H])[H] |
| SPLASH | splash10-0udi-1902000000-b989aace33fcb90298c3 |
| Source of Spectrum | G4-70-1305-5 |
| Wiley ID | 1874620 |