| SpectraBase Compound ID | LCOo7bYnfxC |
|---|---|
| InChI | InChI=1S/C31H46O15S/c1-14(2)9-21(33)45-24-23(46-47(40,41)42)22(34)18(13-32)44-26(24)43-17-11-29(4)19-6-5-16-10-30(19,25(35)15(16)3)8-7-20(29)31(12-17,27(36)37)28(38)39/h14,16-20,22-26,32,34-35H,3,5-13H2,1-2,4H3,(H,36,37)(H,38,39)(H,40,41,42)/t16-,17+,18+,19?,20?,22+,23-,24+,25+,26+,29?,30-/m1/s1 |
| InChIKey | YGOAVAYXZNQEGO-LMZNNJFQSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C31H46O15S |
| Exact Mass | 690.255742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QxdWfvyvax |
|---|---|
| Name | 4'-DESULPHATEDCARBOXYATRACTYLOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O15S |
| InChI | InChI=1S/C31H46O15S/c1-14(2)9-21(33)45-24-23(46-47(40,41)42)22(34)18(13-32)44-26(24)43-17-11-29(4)19-6-5-16-10-30(19,25(35)15(16)3)8-7-20(29)31(12-17,27(36)37)28(38)39/h14,16-20,22-26,32,34-35H,3,5-13H2,1-2,4H3,(H,36,37)(H,38,39)(H,40,41,42)/t16-,17+,18+,19?,20?,22+,23-,24+,25+,26+,29?,30-/m1/s1 |
| InChIKey | YGOAVAYXZNQEGO-LMZNNJFQSA-N |
| Literature Reference Author | S.PIACENTE,C.PIZZA,N.D.TOMMASI,F.D.SIMONE |
| Literature Reference Citation | PHYTOCHEM.,41,1357(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00719-9 |
| Molecular Weight | 690.757 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4385 |