| SpectraBase Compound ID | IGAmkTia5o8 |
|---|---|
| InChI | InChI=1S/C31H42O18/c1-12-20(47-22(38)5-3-13-2-4-16(34)17(35)6-13)7-14-15(29(44)45-11-19(37)25(40)24(39)18(36)8-32)10-46-30(23(12)14)49-31-28(43)27(42)26(41)21(9-33)48-31/h2-6,10,12,14,18-21,23-28,30-37,39-43H,7-9,11H2,1H3/b5-3+/t12-,14-,18-,19-,20+,21+,23-,24-,25-,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | ZQSZAICEWGUNLB-QRPPWXAASA-N |
| Mol Weight | 702.7 g/mol |
| Molecular Formula | C31H42O18 |
| Exact Mass | 702.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jlCmAKFN3K |
|---|---|
| Name | LAVAUDIOSIDE_A |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O18 |
| InChI | InChI=1S/C31H42O18/c1-12-20(47-22(38)5-3-13-2-4-16(34)17(35)6-13)7-14-15(29(44)45-11-19(37)25(40)24(39)18(36)8-32)10-46-30(23(12)14)49-31-28(43)27(42)26(41)21(9-33)48-31/h2-6,10,12,14,18-21,23-28,30-37,39-43H,7-9,11H2,1H3/b5-3+/t12-,14-,18-,19-,20+,21+,23-,24-,25-,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | ZQSZAICEWGUNLB-QRPPWXAASA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,74,1477(2011) |
| Literature Reference DOI | 10.1021/np200233p |
| Molecular Weight | 702.664 g/mol |
| Sample ID | 38484 |
| Solvent | CD3OD |