| SpectraBase Compound ID | 7eKpzdiwzah |
|---|---|
| InChI | InChI=1S/C27H34O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h4-5,7-10,16,20-24,27-33H,6,11-12H2,1-3H3/b5-4+/t16-,20-,21-,22+,23-,24+,27+/m1/s1 |
| InChIKey | MQDDAWSOEYTMBZ-AYNTXVLYSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C27H34O12 |
| Exact Mass | 550.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75FD3PbI86A |
|---|---|
| Name | ALANGILIGNOSIDE-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O12 |
| InChI | InChI=1S/C27H34O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h4-5,7-10,16,20-24,27-33H,6,11-12H2,1-3H3/b5-4+/t16-,20-,21-,22+,23-,24+,27+/m1/s1 |
| InChIKey | MQDDAWSOEYTMBZ-AYNTXVLYSA-N |
| Literature Reference Author | K.YUASA,T.IDE,H.OTSUKA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,45,611(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00879-5 |
| Molecular Weight | 550.560 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1487 |