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ECHINACOSIDE
SpectraBase Compound ID 51QNc4aHjIA
InChI InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22-,24-,25+,26+,27-,28+,29+,30-,31-,32-,33+,34-,35-/m0/s1
InChIKey FSBUXLDOLNLABB-KQLCCBNCSA-N
Mol Weight 786.7 g/mol
Molecular Formula C35H46O20
Exact Mass 786.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ttse9t5C7E
Name ECHINACOSIDE
Compound Number ECH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O20
InChI InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22-,24-,25+,26+,27-,28+,29+,30-,31-,32-,33+,34-,35-/m0/s1
InChIKey FSBUXLDOLNLABB-KQLCCBNCSA-N
Literature Reference Author C.JIA,H.SHI,W.JIN,K.ZHANG,Y.JIANG,M.ZHAO,P.TU
Literature Reference Citation DRUG.MET.DISP.,37,431(2009)
Literature Reference DOI 10.1124/dmd.108.023697
Molecular Weight 786.738 g/mol
Source File Reference UWLU74096