| SpectraBase Compound ID | DebDUtYKv3F |
|---|---|
| InChI | InChI=1S/C29H36O11/c1-15-11-22-20(16(2)28(36)38-22)9-5-18(14-37-24(32)12-17-3-7-19(31)8-4-17)6-10-21(15)39-29-27(35)26(34)25(33)23(13-30)40-29/h3-4,6-8,11,20-23,25-27,29-31,33-35H,2,5,9-10,12-14H2,1H3/b15-11+,18-6-/t20-,21-,22+,23+,25+,26-,27+,29+/m0/s1 |
| InChIKey | XASINTHDSBCCBZ-WTNOMZTPSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C29H36O11 |
| Exact Mass | 560.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XAmJrtv2gS |
|---|---|
| Name | 3-BETA,14-DIHYDROXY-COSTUNOLIDE-3-O-BETA-GLUCOPYRANOSYL-14-O-PARA-HYDROXYPHENYLACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O11 |
| InChI | InChI=1S/C29H36O11/c1-15-11-22-20(16(2)28(36)38-22)9-5-18(14-37-24(32)12-17-3-7-19(31)8-4-17)6-10-21(15)39-29-27(35)26(34)25(33)23(13-30)40-29/h3-4,6-8,11,20-23,25-27,29-31,33-35H,2,5,9-10,12-14H2,1H3/b15-11+,18-6-/t20-,21-,22+,23+,25+,26-,27+,29+/m0/s1 |
| InChIKey | XASINTHDSBCCBZ-WTNOMZTPSA-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 | 560.598 g/mol |
| Sample ID | 63817 |
| Solvent | CDCl3 |