| SpectraBase Compound ID | 4MxlzUTX2I4 |
|---|---|
| InChI | InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)31)21(30)14-10-40-27(13-7-18(38-3)23(32)19(8-13)39-4)15(14)11-41-28-26(35)25(34)24(33)20(9-29)42-28/h5-8,14-15,20,24-29,31-35H,9-11H2,1-4H3/t14-,15-,20-,24-,25+,26-,27+,28-/m0/s1 |
| InChIKey | PGIMKLFKVKUCPJ-OZKULBLXSA-N |
| Mol Weight | 596.6 g/mol |
| Molecular Formula | C28H36O14 |
| Exact Mass | 596.210506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbX06XL0Jxu |
|---|---|
| Name | AKETRILIGNOSIDE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O14 |
| InChI | InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)31)21(30)14-10-40-27(13-7-18(38-3)23(32)19(8-13)39-4)15(14)11-41-28-26(35)25(34)24(33)20(9-29)42-28/h5-8,14-15,20,24-29,31-35H,9-11H2,1-4H3/t14-,15-,20-,24-,25+,26-,27+,28-/m0/s1 |
| InChIKey | PGIMKLFKVKUCPJ-OZKULBLXSA-N |
| Literature Reference Author | Y.QIN,C.YIN,Z.CHENG |
| Literature Reference Citation | MOLECULES,18,13636(2013) |
| Literature Reference DOI | 10.3390/molecules181113636 |
| Molecular Weight | 596.585 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR9876 |