SpectraBase Compound ID | GnC4ju9td2g |
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InChI | InChI=1S/C40H54O15/c1-19(11-22-12-25(45-4)39(26(13-22)46-5)55-40-34(44)33(43)32(42)31(18-41)53-40)52-38-29(49-8)16-24(17-30(38)50-9)36-21(3)20(2)35(54-36)23-14-27(47-6)37(51-10)28(15-23)48-7/h12-17,19-21,31-36,40-44H,11,18H2,1-10H3/t19?,20-,21-,31-,32-,33+,34-,35+,36-,40+/m1/s1 |
InChIKey | CFECAYJMAJRTKH-RQCJPZTNSA-N |
Mol Weight | 774.9 g/mol |
Molecular Formula | C40H54O15 |
Exact Mass | 774.346271 g/mol |
SpectraBase Spectrum ID | K22lfD7UwK8 |
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Name | BONASPECTIN-C-4''-O-BETA-GLUCOPYRANOSIDE |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C40H54O15 |
InChI | InChI=1S/C40H54O15/c1-19(11-22-12-25(45-4)39(26(13-22)46-5)55-40-34(44)33(43)32(42)31(18-41)53-40)52-38-29(49-8)16-24(17-30(38)50-9)36-21(3)20(2)35(54-36)23-14-27(47-6)37(51-10)28(15-23)48-7/h12-17,19-21,31-36,40-44H,11,18H2,1-10H3/t19?,20-,21-,31-,32-,33+,34-,35+,36-,40+/m1/s1 |
InChIKey | CFECAYJMAJRTKH-RQCJPZTNSA-N |
Literature Reference Author | B.TOFERN,K.JENETT-SIEMS,K.SIEMS,J.JAKUPOVIC,E.EICH |
Literature Reference Citation | PHYTOCHEM.,53,119(2000) |
Literature Reference DOI | 10.1016/S0031-9422(99)00419-7 |
Molecular Weight | 774.860 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU1607 |