SpectraBase Compound ID | KfPvpdVxJAB |
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InChI | InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 |
InChIKey | QVUZRUJONIJRDT-PPKUYGORSA-N |
Mol Weight | 538.5 g/mol |
Molecular Formula | C25H30O13 |
Exact Mass | 538.168641 g/mol |
SpectraBase Spectrum ID | FKpJaFNroEU |
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Name | FRAXAMOSIDE |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C25H30O13 |
InChI | InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 |
InChIKey | QVUZRUJONIJRDT-PPKUYGORSA-N |
Literature Reference Author | Y.TAKENAKA,T.TANAHASHI,M.SHINTAKU,T.SAKAI,N.NAGAKURA,X.PARID A |
Literature Reference Citation | PHYTOCHEM.,55,275(2000) |
Literature Reference DOI | 10.1016/S0031-9422(00)00319-8 |
Molecular Weight | 538.505 g/mol |
Solvent | CD3OD |
Source File Reference | UWLU2476 |