| SpectraBase Compound ID | 2y6w1Vo8qil |
|---|---|
| InChI | InChI=1S/C31H44O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h4-5,8,10-12,14-25,27-30,32-40H,2-3,6-7,9H2,1H3/t10-,11?,12?,14+,15-,16?,17?,18+,19-,20-,21+,22+,23-,24-,25-,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | XYQGKOSSVPHSBW-ZIANOHNGSA-N |
| Mol Weight | 704.7 g/mol |
| Molecular Formula | C31H44O18 |
| Exact Mass | 704.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24kMuqev5HK |
|---|---|
| Name | AGRYLIOSIDE |
| Compound Number | 342 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O18 |
| InChI | InChI=1S/C31H44O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h4-5,8,10-12,14-25,27-30,32-40H,2-3,6-7,9H2,1H3/t10-,11?,12?,14+,15-,16?,17?,18+,19-,20-,21+,22+,23-,24-,25-,27+,28-,29-,30+,31+/m0/s1 |
| InChIKey | XYQGKOSSVPHSBW-ZIANOHNGSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 704.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16301 |