| SpectraBase Compound ID | FwrxOuDeTeN |
|---|---|
| InChI | InChI=1S/C30H40O13/c31-14-23-24(36)25(37)26(43-29-27(38)30(39,15-32)16-40-29)28(42-23)41-22(12-6-18-3-9-20(34)10-4-18)13-21(35)11-5-17-1-7-19(33)8-2-17/h1-4,7-10,22-29,31-34,36-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29-,30+/m0/s1 |
| InChIKey | NUACGMYJCUJZFV-BYWUESOHSA-N |
| Mol Weight | 608.6 g/mol |
| Molecular Formula | C30H40O13 |
| Exact Mass | 608.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsNuTcLrzPZ |
|---|---|
| Name | (5S)-5-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANONE-5-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O13 |
| InChI | InChI=1S/C30H40O13/c31-14-23-24(36)25(37)26(43-29-27(38)30(39,15-32)16-40-29)28(42-23)41-22(12-6-18-3-9-20(34)10-4-18)13-21(35)11-5-17-1-7-19(33)8-2-17/h1-4,7-10,22-29,31-34,36-39H,5-6,11-16H2/t22-,23+,24+,25-,26+,27-,28+,29-,30+/m0/s1 |
| InChIKey | NUACGMYJCUJZFV-BYWUESOHSA-N |
| Literature Reference Author | E.SMITE,L.N.LUNDGREN,R.ANDERSSON |
| Literature Reference Citation | PHYTOCHEM.,32,365(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94995-1 |
| Molecular Weight | 608.640 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3630 |