| SpectraBase Compound ID | I9Kg0bfQaUO |
|---|---|
| InChI | InChI=1S/C21H30O11/c1-11(2)7-21(29,8-15(23)24)20(28)30-10-12-3-5-13(6-4-12)31-19-18(27)17(26)16(25)14(9-22)32-19/h3-6,11,14,16-19,22,25-27,29H,7-10H2,1-2H3,(H,23,24)/t14-,16-,17+,18-,19-,21-/m1/s1 |
| InChIKey | PYJUFJBNDQMBDO-XSEUIGDCSA-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 | BHSJKYOwXCY |
|---|---|
| Name | GYMNOSIDE_I;1-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-(2-R)-2-ISOBUTYLMALATE |
| Compound Number | 1 |
| 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(29,8-15(23)24)20(28)30-10-12-3-5-13(6-4-12)31-19-18(27)17(26)16(25)14(9-22)32-19/h3-6,11,14,16-19,22,25-27,29H,7-10H2,1-2H3,(H,23,24)/t14-,16-,17+,18-,19-,21-/m1/s1 |
| InChIKey | PYJUFJBNDQMBDO-XSEUIGDCSA-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 | UWMZ18520 |