| SpectraBase Compound ID | Lm0tZL6yKrd |
|---|---|
| InChI | InChI=1S/C26H39NO3/c1-7-16(2)15-27-21-13-22(28)24(30)18(23(21)29)14-26(6)17(3)10-11-19-20(26)9-8-12-25(19,4)5/h11,13,16-17,20,27,30H,7-10,12,14-15H2,1-6H3/t16-,17-,20+,26+/m0/s1 |
| InChIKey | NAXWCXIIGZMBKS-IIKBXZHJSA-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 | EYzBAB8hkgv |
|---|---|
| Name | Nakijiquinone J |
| Appearance | Purple-red amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO3 |
| InChI | InChI=1S/C26H39NO3/c1-7-16(2)15-27-21-13-22(28)24(30)18(23(21)29)14-26(6)17(3)10-11-19-20(26)9-8-12-25(19,4)5/h11,13,16-17,20,27,30H,7-10,12,14-15H2,1-6H3/t16-,17-,20+,26+/m0/s1 |
| InChIKey | NAXWCXIIGZMBKS-IIKBXZHJSA-N |
| Instrument Name | JEOL FABmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900470e |
| Molecular Weight | 413.602 g/mol |
| Optical Rotation | [a]D23 = -42 (c = 0.25, CHCl3) |
| Reported Formula | C26H39NO3 |
| SMILES | OC1=C(C(C(=CC1=O)NC[C@](CC)(C)[H])=O)C[C@]1([C@@]2(CCCC(C2=CC[C@@]1(C)[H])(C)C)[H])C |
| SPLASH | splash10-00di-0690100000-aea06fdec0ae9b45d0ad |
| Source of Spectrum | G4-73-470-1 |
| Wiley ID | 1848921 |