| SpectraBase Compound ID | CCWZ5t9IxX3 |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-11-17(32)23(42-26(36)13-6-4-3-5-7-13)25(39-12(2)31)29(38-11)43-21-14-8-9-37-27(16(14)22-24(21)41-22)44-28-20(35)19(34)18(33)15(10-30)40-28/h3-9,11,14-25,27-30,32-35H,10H2,1-2H3/t11-,14?,15+,16?,17-,18+,19-,20+,21+,22-,23+,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | OMKKPKCCLJKYJN-ILHALJONSA-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 | 39b4I371lkM |
|---|---|
| Name | 2''-ACETYL-3''-BENZOYL-NUXIOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c1-11-17(32)23(42-26(36)13-6-4-3-5-7-13)25(39-12(2)31)29(38-11)43-21-14-8-9-37-27(16(14)22-24(21)41-22)44-28-20(35)19(34)18(33)15(10-30)40-28/h3-9,11,14-25,27-30,32-35H,10H2,1-2H3/t11-,14?,15+,16?,17-,18+,19-,20+,21+,22-,23+,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | OMKKPKCCLJKYJN-ILHALJONSA-N |
| Literature Reference Author | S.R.JENSEN,L.RAVNKILDE,J.SCHRIPSEMA |
| Literature Reference Citation | PHYTOCHEM.,47,1007(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00536-0 |
| Molecular Weight | 624.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS433 |