SpectraBase Compound ID | GRHrYuXQBbm |
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InChI | InChI=1S/C44H68O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,19-21,23-41,45-52H,1,8-17H2,2-6H3/t19-,20+,21-,23+,24?,25?,26?,27-,28?,29+,30?,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
InChIKey | TUGIMPIIFGDQLI-CNOPPCEQSA-N |
Mol Weight | 853.0 g/mol |
Molecular Formula | C44H68O16 |
Exact Mass | 852.450736 g/mol |
SpectraBase Spectrum ID | AHUKJrqq6A9 |
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Name | NEORUSCOGENIN-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE] |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H68O16 |
InChI | InChI=1S/C44H68O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,19-21,23-41,45-52H,1,8-17H2,2-6H3/t19-,20+,21-,23+,24?,25?,26?,27-,28?,29+,30?,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44+/m0/s1 |
InChIKey | TUGIMPIIFGDQLI-CNOPPCEQSA-N |
Literature Reference Author | Y.MIMAKI,Y.TAKAASHI,M.KURODA,Y.SASHIDA,T.NIKAIDO |
Literature Reference Citation | PHYTOCHEM.,42,1609(1996) |
Literature Reference DOI | 10.1016/0031-9422(96)00107-0 |
Molecular Weight | 853.014 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN3253 |