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PERACETYLATED-(2Z)-4-(BETA-D-GLUCOPYRANOSYLOXY)-2-BUTENENITRILE;PERCETYLATED-ALLIARINOSIDE
SpectraBase Compound ID KWyPXN2Olmy
InChI InChI=1S/C18H23NO10/c1-10(20)25-9-14-15(26-11(2)21)16(27-12(3)22)17(28-13(4)23)18(29-14)24-8-6-5-7-19/h5-6,14-18H,8-9H2,1-4H3/b6-5-/t14-,15-,16+,17-,18-/m1/s1
InChIKey IZTCRAZMRMVXSX-ILFVIUNKSA-N
Mol Weight 413.38 g/mol
Molecular Formula C18H23NO10
Exact Mass 413.132196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcULHajHuHi
Name PERACETYLATED-(2Z)-4-(BETA-D-GLUCOPYRANOSYLOXY)-2-BUTENENITRILE;PERCETYLATED-ALLIARINOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23NO10
InChI InChI=1S/C18H23NO10/c1-10(20)25-9-14-15(26-11(2)21)16(27-12(3)22)17(28-13(4)23)18(29-14)24-8-6-5-7-19/h5-6,14-18H,8-9H2,1-4H3/b6-5-/t14-,15-,16+,17-,18-/m1/s1
InChIKey IZTCRAZMRMVXSX-ILFVIUNKSA-N
Literature Reference Author M.HARIBAL,Z.YANG,A.B.ATTYGALLE,J.A.A.RENWICK,J.MEINWALD
Literature Reference Citation J.NAT.PROD.,64,440(2001)
Literature Reference DOI 10.1021/np000534d
Molecular Weight 413.381 g/mol
Solvent CDCl3