| SpectraBase Compound ID | 3NDxfro2Rqq |
|---|---|
| InChI | InChI=1S/C21H30O9/c1-10-7-15-13(11(2)20(27)28-15)5-3-12(8-22)4-6-14(10)29-21-19(26)18(25)17(24)16(9-23)30-21/h4,7,13-19,21-26H,2-3,5-6,8-9H2,1H3/b10-7+,12-4-/t13-,14-,15+,16+,17+,18-,19+,21+/m0/s1 |
| InChIKey | LVLLXACEPRSSHZ-DKLYYUBDSA-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 | Bk162wlV4tw |
|---|---|
| Name | 3-BETA,14-DIHYDROXY-COSTUNOLIDE-3-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O9 |
| InChI | InChI=1S/C21H30O9/c1-10-7-15-13(11(2)20(27)28-15)5-3-12(8-22)4-6-14(10)29-21-19(26)18(25)17(24)16(9-23)30-21/h4,7,13-19,21-26H,2-3,5-6,8-9H2,1H3/b10-7+,12-4-/t13-,14-,15+,16+,17+,18-,19+,21+/m0/s1 |
| InChIKey | LVLLXACEPRSSHZ-DKLYYUBDSA-N |
| Literature Reference Author | F.BITAM,M.L.CIAVATTA,E.MANZO,A.DIBI,M.GAVAGNIN |
| Literature Reference Citation | PHYTOCHEM.,69,2984(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.09.025 |
| Molecular Weight | 426.464 g/mol |
| Sample ID | 63813 |
| Solvent | C5D5N |