| SpectraBase Compound ID | 7PW2O2ljoCM |
|---|---|
| InChI | InChI=1S/C28H44O16/c1-13-18(30)20(32)21(33)26(42-13)44-23-19(31)17(10-40-27-24(38-4)28(35,11-29)12-41-27)43-25(22(23)34)39-8-7-14-5-6-15(36-2)16(9-14)37-3/h5-6,9,13,17-27,29-35H,7-8,10-12H2,1-4H3/t13-,17-,18-,19-,20+,21+,22-,23+,24-,25-,26-,27+,28+/m0/s1 |
| InChIKey | CFESNBWTEDEJHS-AYLZRQRGSA-N |
| Mol Weight | 636.6 g/mol |
| Molecular Formula | C28H44O16 |
| Exact Mass | 636.262935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACg6VOJbUVb |
|---|---|
| Name | DEACYLFORSYTHOSIDE_G_DIMETHYLETHER;BETA-(3,4-DIMETHOXYPHENYL)-ETHYL-6-BETA-(2-O-METHYL)-APIOSYL-3-ALPHA-RHAMNOSYLGLUCOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O16 |
| InChI | InChI=1S/C28H44O16/c1-13-18(30)20(32)21(33)26(42-13)44-23-19(31)17(10-40-27-24(38-4)28(35,11-29)12-41-27)43-25(22(23)34)39-8-7-14-5-6-15(36-2)16(9-14)37-3/h5-6,9,13,17-27,29-35H,7-8,10-12H2,1-4H3/t13-,17-,18-,19-,20+,21+,22-,23+,24-,25-,26-,27+,28+/m0/s1 |
| InChIKey | CFESNBWTEDEJHS-AYLZRQRGSA-N |
| Literature Reference Author | K.ENDO,K.TAKAHASHI |
| Literature Reference Citation | HETEROCYCLES,30,291(1990) |
| Literature Reference DOI | 10.3987/COM-89-S36 |
| Molecular Weight | 636.648 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ981 |