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5-N-ACETYLCYSTEINYL-[6]-SHOGAOL

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5-N-ACETYLCYSTEINYL-[6]-SHOGAOL
SpectraBase Compound ID AWROZcbBDOY
InChI InChI=1S/C22H33NO6S/c1-4-5-6-7-18(30-14-19(22(27)28)23-15(2)24)13-17(25)10-8-16-9-11-20(26)21(12-16)29-3/h9,11-12,18-19,26H,4-8,10,13-14H2,1-3H3,(H,23,24)(H,27,28)/t18?,19-/m0/s1
InChIKey WATGOSHZDGAQHA-GGYWPGCISA-N
Mol Weight 439.6 g/mol
Molecular Formula C22H33NO6S
Exact Mass 439.202859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30BPrC5KZMN
Name 5-N-ACETYLCYSTEINYL-[6]-SHOGAOL
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33NO6S
InChI InChI=1S/C22H33NO6S/c1-4-5-6-7-18(30-14-19(22(27)28)23-15(2)24)13-17(25)10-8-16-9-11-20(26)21(12-16)29-3/h9,11-12,18-19,26H,4-8,10,13-14H2,1-3H3,(H,23,24)(H,27,28)/t18?,19-/m0/s1
InChIKey WATGOSHZDGAQHA-GGYWPGCISA-N
Literature Reference Author H.CHEN,L.LV,D.SOROKA,R.F.WARIN,T.A.PARKS,Y.HU,Y.ZHU,X.CHEN,S .SANG
Literature Reference Citation DRUG.MET.DISP.,40,742(2012)
Literature Reference DOI 10.1124/dmd.111.043331
Molecular Weight 439.567 g/mol
Source File Reference UWLU75285