| SpectraBase Compound ID | Hr3gooaTqRw |
|---|---|
| InChI | InChI=1S/C31H46O18S2.2Na/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t16-,17?,18+,19+,20?,22+,23-,24+,25+,26+,29+,30-;;/m1../s1 |
| InChIKey | VWYXKDKDZFQJON-RRWLNNGXSA-L |
| Mol Weight | 814.77453856 g/mol |
| Molecular Formula | C31H44Na2O18S2 |
| Exact Mass | 814.176445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrvTwqRzxyO |
|---|---|
| Name | CARBOXYATRACTYLOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44Na2O18S2 |
| InChI | InChI=1S/C31H46O18S2.2Na/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t16-,17?,18+,19+,20?,22+,23-,24+,25+,26+,29+,30-;;/m1../s1 |
| InChIKey | VWYXKDKDZFQJON-RRWLNNGXSA-L |
| Literature Reference Author | E.ROEDER,T.BOURAUEL,U.MEIER,H.WIEDENFELD |
| Literature Reference Citation | PHYTOCHEM.,37,353(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85060-7 |
| Molecular Weight | 814.779 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU23101 |