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5-epi-Nakijiquinone N
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)

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