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2'-METHYL-4'-OXOBUTAN-2-YLAMMONIUM-(5-R)-5,9-DIMETHYL-(3-E)-3,8-DECADIENYL-1-SULFATE
SpectraBase Compound ID ERhEHDqB69L
InChI InChI=1S/C12H22O4S.C6H13NO/c1-11(2)7-6-9-12(3)8-4-5-10-16-17(13,14)15;1-5(8)4-6(2,3)7/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,13,14,15);4,7H2,1-3H3/b8-4+;/t12-;/m0./s1
InChIKey WWHVTZOEBAQRLJ-QOTWOHGLSA-N
Mol Weight 377.54 g/mol
Molecular Formula C18H35NO5S
Exact Mass 377.223594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eszAb8gtP7
Name 2'-METHYL-4'-OXOBUTAN-2-YLAMMONIUM-(5-R)-5,9-DIMETHYL-(3-E)-3,8-DECADIENYL-1-SULFATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H35NO5S
InChI InChI=1S/C12H22O4S.C6H13NO/c1-11(2)7-6-9-12(3)8-4-5-10-16-17(13,14)15;1-5(8)4-6(2,3)7/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,13,14,15);4,7H2,1-3H3/b8-4+;/t12-;/m0./s1
InChIKey WWHVTZOEBAQRLJ-QOTWOHGLSA-N
Literature Reference Author L.CHEN,Y.FANG,X.LUO,H.HE,T.ZHU,H.LIU,Q.GU,W.ZHU
Literature Reference Citation J.NAT.PROD.,69,1787(2006)
Literature Reference DOI 10.1021/np058124i
Molecular Weight 377.540 g/mol
Solvent CDCl3
Source File Reference UWMZ17406