| SpectraBase Compound ID | KcqaG83mZbo |
|---|---|
| InChI | InChI=1S/C21H30O11/c1-11(2)7-21(29,20(27)28)8-15(23)30-10-12-3-5-13(6-4-12)31-19-18(26)17(25)16(24)14(9-22)32-19/h3-6,11,14,16-19,22,24-26,29H,7-10H2,1-2H3,(H,27,28)/t14-,16-,17+,18-,19-,21?/m1/s1 |
| InChIKey | RNOMXPGTSFLPDO-KWDJLOBQSA-N |
| Mol Weight | 458.46 g/mol |
| Molecular Formula | C21H30O11 |
| Exact Mass | 458.178812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 407q521sdWO |
|---|---|
| Name | GYMNOSIDE_II;4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-(2-R)-2-ISOBUTYLMALATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O11 |
| InChI | InChI=1S/C21H30O11/c1-11(2)7-21(29,20(27)28)8-15(23)30-10-12-3-5-13(6-4-12)31-19-18(26)17(25)16(24)14(9-22)32-19/h3-6,11,14,16-19,22,24-26,29H,7-10H2,1-2H3,(H,27,28)/t14-,16-,17+,18-,19-,21?/m1/s1 |
| InChIKey | RNOMXPGTSFLPDO-KWDJLOBQSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | J.NAT.PROD.,69,881(2006) |
| Literature Reference DOI | 10.1021/np0581115 |
| Molecular Weight | 458.463 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18521 |