| SpectraBase Compound ID | 67zRsxPndDu |
|---|---|
| InChI | InChI=1S/C29H36O15/c30-10-14-9-17(16-7-8-39-27(21(14)16)44-29-26(38)24(36)22(34)18(11-31)43-29)42-28-25(37)23(35)19(12-40-28)41-20(33)6-3-13-1-4-15(32)5-2-13/h1-9,16-19,21-32,34-38H,10-12H2/b6-3-/t16?,17?,18-,19-,21?,22-,23+,24+,25-,26-,27?,28+,29+/m0/s1 |
| InChIKey | QMXKOUSEDUDBEY-WCDSYGGGSA-N |
| Mol Weight | 624.6 g/mol |
| Molecular Formula | C29H36O15 |
| Exact Mass | 624.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ln9pR3zA4Rn |
|---|---|
| Name | PHLOMOIDOSIDE;6-O-(4''-O-PARA-COUMAROYL-BETA-D-XYLOPYRANOSYL)-AUCUBIN;CIS-ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c30-10-14-9-17(16-7-8-39-27(21(14)16)44-29-26(38)24(36)22(34)18(11-31)43-29)42-28-25(37)23(35)19(12-40-28)41-20(33)6-3-13-1-4-15(32)5-2-13/h1-9,16-19,21-32,34-38H,10-12H2/b6-3-/t16?,17?,18-,19-,21?,22-,23+,24+,25-,26-,27?,28+,29+/m0/s1 |
| InChIKey | QMXKOUSEDUDBEY-WCDSYGGGSA-N |
| Literature Reference Author | B.KLIMEK |
| Literature Reference Citation | PHYTOCHEM.,43,1281(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00446-3 |
| Molecular Weight | 624.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2384 |