| SpectraBase Compound ID | 2WGDd7c8R4z |
|---|---|
| InChI | InChI=1S/C26H40O16/c1-9-15(29)18(32)20(34)24(39-9)38-8-14-17(31)23(42-26-21(35)19(33)16(30)10(2)40-26)22(36)25(41-14)37-6-5-11-3-4-12(27)13(28)7-11/h3-4,7,9-10,14-36H,5-6,8H2,1-2H3/t9-,10-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23+,24+,25-,26-/m0/s1 |
| InChIKey | PFPXNGNAGDHAEP-NLGMSELXSA-N |
| Mol Weight | 608.6 g/mol |
| Molecular Formula | C26H40O16 |
| Exact Mass | 608.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FScXLtbVWMV |
|---|---|
| Name | DESCAFFEOYLPOLIUMOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O16 |
| InChI | InChI=1S/C26H40O16/c1-9-15(29)18(32)20(34)24(39-9)38-8-14-17(31)23(42-26-21(35)19(33)16(30)10(2)40-26)22(36)25(41-14)37-6-5-11-3-4-12(27)13(28)7-11/h3-4,7,9-10,14-36H,5-6,8H2,1-2H3/t9-,10-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23+,24+,25-,26-/m0/s1 |
| InChIKey | PFPXNGNAGDHAEP-NLGMSELXSA-N |
| Literature Reference Author | Z.D.HE,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,30,701(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83759-E |
| Molecular Weight | 608.594 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32370 |