| SpectraBase Compound ID | FB040aV5BCt |
|---|---|
| InChI | InChI=1S/C30H46O16S2.2Na/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17?,18-,19?,20+,21+,23+,24-,25+,26+,28+,29-,30-;;/m1../s1 |
| InChIKey | NFANIWBAUMYKQE-DNXHJHIGSA-L |
| Mol Weight | 770.76553856 g/mol |
| Molecular Formula | C30H44Na2O16S2 |
| Exact Mass | 770.186616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkvWCCmnKpo |
|---|---|
| Name | ATRACTYLOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44Na2O16S2 |
| InChI | InChI=1S/C30H46O16S2.2Na/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17?,18-,19?,20+,21+,23+,24-,25+,26+,28+,29-,30-;;/m1../s1 |
| InChIKey | NFANIWBAUMYKQE-DNXHJHIGSA-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 | 770.769 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU23100 |