| SpectraBase Compound ID | JWDH5SaTzmN |
|---|---|
| InChI | InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23-,24-,25+,26-,27-,28-,29+,30+/m0/s1 |
| InChIKey | FBJBPTHRQGMFOK-RWCXMETFSA-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 | BtqvxnuY8Ba |
|---|---|
| Name | (5S)-5-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANONE-5-O-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O13 |
| InChI | InChI=1S/C30H40O13/c31-15-30(39)16-41-29(27(30)38)40-14-23-24(35)25(36)26(37)28(43-23)42-22(12-6-18-3-9-20(33)10-4-18)13-21(34)11-5-17-1-7-19(32)8-2-17/h1-4,7-10,22-29,31-33,35-39H,5-6,11-16H2/t22-,23-,24-,25+,26-,27-,28-,29+,30+/m0/s1 |
| InChIKey | FBJBPTHRQGMFOK-RWCXMETFSA-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 | UWMS3629 |