| SpectraBase Compound ID | 6Ww9cXxJTDn |
|---|---|
| InChI | InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-6,12-21,25-32H,7-11H2,1-4H3/b6-5+/t12-,13-,14+,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1 |
| InChIKey | XNJLHEUMVJRZFZ-ORGKELGWSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C24H42O12 |
| Exact Mass | 522.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QCmEFiikaH |
|---|---|
| Name | ALANGIONOSIDE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H42O12 |
| InChI | InChI=1S/C24H42O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-6,12-21,25-32H,7-11H2,1-4H3/b6-5+/t12-,13-,14+,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1 |
| InChIKey | XNJLHEUMVJRZFZ-ORGKELGWSA-N |
| Literature Reference Author | H.OTSUKA,K.KAMADA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,35,1331(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94848-9 |
| Molecular Weight | 522.590 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS24565 |