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#5C;1-ALPHA-OCTYL-2,3-ISOPROPYLIDENE-1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-ACETATE-SALT;(1R,2S,3R,4R)-1-OCTYL-2,3-ISOPROPYLIDENEDIOXY-4-HYDROXYMETHYL-1-PYRROLIDINE-A
SpectraBase Compound ID L5kz02Cxf8h
InChI InChI=1S/C16H31NO3.C2H4O2/c1-4-5-6-7-8-9-10-12-14-15(13(11-18)17-12)20-16(2,3)19-14;1-2(3)4/h12-15,17-18H,4-11H2,1-3H3;1H3,(H,3,4)/t12-,13-,14+,15-;/m1./s1
InChIKey DSBPKSOWEGQUHF-RWXTUVLLSA-N
Mol Weight 345.5 g/mol
Molecular Formula C18H35NO5
Exact Mass 345.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAr6P5vU3c1
Name #5C;1-ALPHA-OCTYL-2,3-ISOPROPYLIDENE-1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-ACETATE-SALT;(1R,2S,3R,4R)-1-OCTYL-2,3-ISOPROPYLIDENEDIOXY-4-HYDROXYMETHYL-1-PYRROLIDINE-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H35NO5
InChI InChI=1S/C16H31NO3.C2H4O2/c1-4-5-6-7-8-9-10-12-14-15(13(11-18)17-12)20-16(2,3)19-14;1-2(3)4/h12-15,17-18H,4-11H2,1-3H3;1H3,(H,3,4)/t12-,13-,14+,15-;/m1./s1
InChIKey DSBPKSOWEGQUHF-RWXTUVLLSA-N
Literature Reference Author R.M.MORIARTY,C.I.MITAN,N.BRANZA-NICHITA,K.R.PHARES,D.PARRISH
Literature Reference Citation ORG.LETTERS,8,3465(2006)
Literature Reference DOI 10.1021/ol061071r
Molecular Weight 345.480 g/mol
Sample ID 58352
Solvent CDCl3