| SpectraBase Compound ID | 50rXUMrOEfd |
|---|---|
| InChI | InChI=1S/C30H46O13S/c1-14(2)9-22(32)42-25-24(43-44(37,38)39)23(33)20(13-31)41-28(25)40-17-10-18(27(35)36)19-7-8-30-11-16(15(3)26(30)34)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33-34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38,39)/t16-,17-,18-,19?,20+,21?,23+,24-,25+,26+,28+,29?,30-/m1/s1 |
| InChIKey | KVVMPQXPWXLMIR-VLEIOGSZSA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C30H46O13S |
| Exact Mass | 646.265913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cd3RYAfO89w |
|---|---|
| Name | 4'-DESULPHATEDATRACTYLOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O13S |
| InChI | InChI=1S/C30H46O13S/c1-14(2)9-22(32)42-25-24(43-44(37,38)39)23(33)20(13-31)41-28(25)40-17-10-18(27(35)36)19-7-8-30-11-16(15(3)26(30)34)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33-34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38,39)/t16-,17-,18-,19?,20+,21?,23+,24-,25+,26+,28+,29?,30-/m1/s1 |
| InChIKey | KVVMPQXPWXLMIR-VLEIOGSZSA-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 | 646.747 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4386 |