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6-O-ACETYL-SHANZHISIDE_METHYLESTER
SpectraBase Compound ID CnHkeQl1Gt5
InChI InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1
InChIKey GKXRBKPTVBNOEE-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 EpZ1IRtjUiC
Name 6-O-ACETYL-SHANZHISIDE-METHYLESTER
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)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1
InChIKey GKXRBKPTVBNOEE-PCFRYOIQSA-N
Literature Reference Author L.T.BYRNE,J.M.SASSE,B.W.SKELTON,A.SUKSAMRARN,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,40,785(1987)
Literature Reference DOI 10.1071/ch9870785
Molecular Weight 448.424 g/mol
Solvent D2O
Source File Reference UWWR122