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BARLERIN;8-O-ACETYLSHANZHISIDE-METHYLESTER

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BARLERIN;8-O-ACETYLSHANZHISIDE-METHYLESTER
SpectraBase Compound ID IGP1GGnBOap
InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1
InChIKey ARFRZOLTIRQFCI-PCFRYOIQSA-N
Mol Weight 448.42 g/mol
Molecular Formula C19H28O12
Exact Mass 448.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZEVndSiiDL
Name BARLERIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O12
InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1
InChIKey ARFRZOLTIRQFCI-PCFRYOIQSA-N
Literature Reference Author T.ERSOZ,D.KAYA,F.N.YALCIN,C.KAZAZ,E.PALASKA,C.H.GOTFREDSEN,S .R.JENSEN,I.CALIS
Literature Reference Citation TURK.J.CHEM.,31,155(2007)
Molecular Weight 448.424 g/mol
Sample ID 45642
Solvent CD3OD