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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 ElKRszNbHaE
Name BARLERIN;8-O-ACETYL-SHANZHISIDE-METHYLESTER
Compound Number 1
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 R.KASAI,M.KATAGIRI,K.OHTANI,K.YAMASAKI,C.R.YANG,O.TANAKA
Literature Reference Citation PHYTOCHEM.,36,967(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90473-4
Molecular Weight 448.424 g/mol
Solvent D2O
Source File Reference UWMS26018