SpectraBase Compound ID | 8mXMqnQQJhH |
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InChI | InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21?,22?,23+,24+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+/m1/s1 |
InChIKey | KQBVSIZPUWODNU-WTZBYJAWSA-N |
Mol Weight | 696.8 g/mol |
Molecular Formula | C35H52O14 |
Exact Mass | 696.335706 g/mol |
SpectraBase Spectrum ID | FbOROlx5zxO |
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Name | ERYSIMOSIDE;STROPHANTHIDIN-3-O-BETA-D-GLUCOPYRANOSYL-DIGITOXOPYRANOSIDE |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C35H52O14 |
InChI | InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21?,22?,23+,24+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+/m1/s1 |
InChIKey | KQBVSIZPUWODNU-WTZBYJAWSA-N |
Literature Reference Author | Z.H.LEI,S.YAHARA,T.NOHARA,T.B.SHAN,J.Z.XIONG |
Literature Reference Citation | PHYTOCHEM.,41,1187(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00764-4 |
Molecular Weight | 696.789 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU4317 |