SpectraBase Compound ID | IAsn2sZEw4c |
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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 |
SpectraBase Spectrum ID | C61lo7gZ8GS |
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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 |