| SpectraBase Compound ID | CaFbykqI3H8 |
|---|---|
| InChI | InChI=1S/C21H30O9/c1-8-11-4-3-10(7-28-21-18(26)17(25)16(24)14(6-22)29-21)15(11)19-12(5-13(8)23)9(2)20(27)30-19/h3,9,12-19,21-26H,4-7H2,1-2H3/t9-,12-,13+,14-,15-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | YKICMEBPTWEZRW-AZGHZNQASA-N |
| Mol Weight | 426.46 g/mol |
| Molecular Formula | C21H30O9 |
| Exact Mass | 426.188983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40Q3ztNgtCG |
|---|---|
| Name | LANCEOCREPIDIASIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O9 |
| InChI | InChI=1S/C21H30O9/c1-8-11-4-3-10(7-28-21-18(26)17(25)16(24)14(6-22)29-21)15(11)19-12(5-13(8)23)9(2)20(27)30-19/h3,9,12-19,21-26H,4-7H2,1-2H3/t9-,12-,13+,14-,15-,16-,17+,18-,19-,21-/m0/s1 |
| InChIKey | YKICMEBPTWEZRW-AZGHZNQASA-N |
| Literature Reference Author | Y.TAKEDA,T.MASUDA,H.MORIKAWA,H.AYABE,E.HIRATA,T.SHINZATO,M.A RAMOTO,H.OTSUKA |
| Literature Reference Citation | PHYTOCHEM.,66,727(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.01.004 |
| Molecular Weight | 426.464 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI25395 |