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(3RS)-(4,4,13,13,13-(2)H5)-(E)-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-YL-TRIAMMONIUM-DIPHOSPHATE;(3RS)-(4,4,13,13,13-(2)H5)-NEROLIDYL-DIPHOSPHATE

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(3RS)-(4,4,13,13,13-(2)H5)-(E)-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-YL-TRIAMMONIUM-DIPHOSPHATE;(3RS)-(4,4,13,13,13-(2)H5)-NEROLIDYL-DIPHOSPHATE
SpectraBase Compound ID 19Jjxaz31yQ
InChI InChI=1S/C15H28O7P2.3N/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3;;;/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18);;;/q;3*+1/p-3/b14-11+;;;/i5D3,12D2;;;
InChIKey YLBGZNAFMPNPTG-LOQJPYMOSA-K
Mol Weight 426.357 g/mol
Molecular Formula C15H202H5N3O7P2
Exact Mass 426.148158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxHbwMg33ac
Name (3RS)-(4,4,13,13,13-(2)H5)-(E)-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-YL-TRIAMMONIUM-DIPHOSPHATE;(3RS)-(4,4,13,13,13-(2)H5)-NEROLIDYL-DIPHOSPHATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H202H5N3O7P2
InChI InChI=1S/C15H28O7P2.3N/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3;;;/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18);;;/q;3*+1/p-3/b14-11+;;;/i5D3,12D2;;;
InChIKey YLBGZNAFMPNPTG-LOQJPYMOSA-K
Literature Reference Author I.ALCHANATI,J.A.A.PATEL,J.LIU,C.R.BENEDICT,R.D.STIPANOVIC,A. A.BELL,Y.CUI,C.W.MAG
Literature Reference Citation PHYTOCHEM.,47,961(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00644-4
Molecular Weight 426.358 g/mol
Solvent D2O+ND4OD;PH=8