| SpectraBase Compound ID | GLwE3Hub63g |
|---|---|
| InChI | InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h8,14,16,18,22,27,30H,7,9-13,15H2,1-6H3/t18-,22+,25+,26+/m0/s1 |
| InChIKey | ACOQUBGHQYPJFN-DVBYZVISSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C26H39NO3 |
| Exact Mass | 413.292994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hgitxj7n0b7 |
|---|---|
| Name | Nakijiquinone N |
| Appearance | Purple-red amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO3 |
| InChI | InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h8,14,16,18,22,27,30H,7,9-13,15H2,1-6H3/t18-,22+,25+,26+/m0/s1 |
| InChIKey | ACOQUBGHQYPJFN-DVBYZVISSA-N |
| Instrument Name | JEOL FABmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900470e |
| Molecular Weight | 413.602 g/mol |
| Optical Rotation | [a]D21 = +124 (c = 0.2, CHCl3) |
| Reported Formula | C26H39NO3 |
| SMILES | OC1=C(C(C(=CC1=O)NCCC(C)C)=O)C[C@]1([C@@]2(CCC=C([C@]2(CC[C@@]1(C)[H])C)C)[H])C |
| SPLASH | splash10-00di-1290000000-c315615b2fff3267bd9b |
| Source of Spectrum | G4-73-470-5 |
| Wiley ID | 1848924 |