| SpectraBase Compound ID | GCMRW6LkJqx |
|---|---|
| InChI | InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m0/s1 |
| InChIKey | IUWNEFXWBDZQHK-NAEGVUMRSA-N |
| Mol Weight | 614.6 g/mol |
| Molecular Formula | C27H34O16 |
| Exact Mass | 614.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HUmst742qY |
|---|---|
| Name | 1,2',6'-O-TRIACETYL-3-O-TRANS-PARA-COUMAROYLSUCROSE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O16 |
| InChI | InChI=1S/C27H34O16/c1-13(29)37-11-19-21(34)23(36)24(39-15(3)31)26(40-19)43-27(12-38-14(2)30)25(22(35)18(10-28)42-27)41-20(33)9-6-16-4-7-17(32)8-5-16/h4-9,18-19,21-26,28,32,34-36H,10-12H2,1-3H3/b9-6+/t18-,19-,21-,22-,23+,24-,25+,26-,27+/m0/s1 |
| InChIKey | IUWNEFXWBDZQHK-NAEGVUMRSA-N |
| Literature Reference Author | N.SHIMAZAKI,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,30,1475(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84190-4 |
| Molecular Weight | 614.557 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU34341 |