| 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
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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 |