| SpectraBase Compound ID | 3WYpIh9kdGz |
|---|---|
| InChI | InChI=1S/C28H34O15/c1-37-16-6-12(7-17(38-2)22(16)32)4-5-19(31)41-15-8-13(9-29)20-21(15)14(26(36)39-3)11-40-27(20)43-28-25(35)24(34)23(33)18(10-30)42-28/h4-8,11,15,18,20-21,23-25,27-30,32-35H,9-10H2,1-3H3/b5-4+/t15-,18+,20-,21+,23+,24-,25+,27+,28-/m1/s1 |
| InChIKey | ATOHZGZSAVGZEK-VZSAHXEBSA-N |
| Mol Weight | 610.6 g/mol |
| Molecular Formula | C28H34O15 |
| Exact Mass | 610.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ph3W9j3ZfW |
|---|---|
| Name | 6-O-SINAPOYL-SCANDOSIDE-METHYLESTER |
| Compound Number | 268 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O15 |
| InChI | InChI=1S/C28H34O15/c1-37-16-6-12(7-17(38-2)22(16)32)4-5-19(31)41-15-8-13(9-29)20-21(15)14(26(36)39-3)11-40-27(20)43-28-25(35)24(34)23(33)18(10-30)42-28/h4-8,11,15,18,20-21,23-25,27-30,32-35H,9-10H2,1-3H3/b5-4+/t15-,18+,20-,21+,23+,24-,25+,27+,28-/m1/s1 |
| InChIKey | ATOHZGZSAVGZEK-VZSAHXEBSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 610.569 g/mol |
| Sample ID | 38064 |
| Solvent | CD3OD |