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6'-O-ACETOACETYL-1,5,9-EPIDEOXYLOGANIC-ACID
SpectraBase Compound ID 61m70F9PAFh
InChI InChI=1S/C20H28O11/c1-8-3-4-10-11(18(26)27)6-29-19(14(8)10)31-20-17(25)16(24)15(23)12(30-20)7-28-13(22)5-9(2)21/h6,8,10,12,14-17,19-20,23-25H,3-5,7H2,1-2H3,(H,26,27)/t8-,10-,12-,14-,15-,16+,17-,19+,20+/m0/s1
InChIKey RDMGINNQVJWYJG-MFVLKFGESA-N
Mol Weight 444.43 g/mol
Molecular Formula C20H28O11
Exact Mass 444.163162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bXQ3Dbbkx3
Name 6'-O-ACETOACETYL-1,5,9-EPIDEOXYLOGANIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O11
InChI InChI=1S/C20H28O11/c1-8-3-4-10-11(18(26)27)6-29-19(14(8)10)31-20-17(25)16(24)15(23)12(30-20)7-28-13(22)5-9(2)21/h6,8,10,12,14-17,19-20,23-25H,3-5,7H2,1-2H3,(H,26,27)/t8-,10-,12-,14-,15-,16+,17-,19+,20+/m0/s1
InChIKey RDMGINNQVJWYJG-MFVLKFGESA-N
Literature Reference Author T.NAGY,A.KOCSIS,M.MORVAI,L.F.SZABO,B.PODANYI,A.GERGELY,G.JER KOVICH
Literature Reference Citation PHYTOCHEM.,47,1067(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00696-1
Molecular Weight 444.436 g/mol
Solvent CH3OD
Source File Reference UWMS448