| SpectraBase Compound ID | IAsn2sZEw4c |
|---|---|
| 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-NZZVAQPWSA-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 | C61lo7gZ8GS |
|---|---|
| Name | 5-epi-Nakijiquinone N |
| Appearance | 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-NZZVAQPWSA-N |
| Instrument Name | Thermo Finnigan TCQ 7000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400633m |
| Molecular Weight | 413.602 g/mol |
| Optical Rotation | [a]D23 = -26 (c = 0.05, MeOH) |
| Reported Formula | C26H39NO3 |
| SMILES | N(C1=CC(C(=C(C1=O)C[C@]1([C@@]2(CCC=C([C@@]2(CC[C@@]1(C)[H])C)C)[H])C)O)=O)CCC(C)C |
| SPLASH | splash10-00di-1390000000-b410069c1a981783a057 |
| Source of Spectrum | G4-77-225-5 |
| Wiley ID | 1865778 |