SpectraBase Compound ID | IiIlKGVBkXn |
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InChI | InChI=1S/C46H35Br5O14/c1-25(52)58-22-36(23-59-41(53)26-2-12-31(47)13-3-26)61-46-40(65-45(57)30-10-20-35(51)21-11-30)39(64-44(56)29-8-18-34(50)19-9-29)38(63-43(55)28-6-16-33(49)17-7-28)37(62-46)24-60-42(54)27-4-14-32(48)15-5-27/h2-21,36-40,46H,22-24H2,1H3/t36?,37-,38-,39+,40-,46-/m1/s1 |
InChIKey | YKDFVJBLQYTQGL-GQSPIAEYSA-N |
Mol Weight | 1211.3 g/mol |
Molecular Formula | C46H35Br5O14 |
Exact Mass | 1205.794371 g/mol |
SpectraBase Spectrum ID | 5auKjIVZLj6 |
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Name | LILIOSIDE-A-PENTA-PARA-BROMOBENZOATE |
Compound Number | 16 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C46H35Br5O14 |
InChI | InChI=1S/C46H35Br5O14/c1-25(52)58-22-36(23-59-41(53)26-2-12-31(47)13-3-26)61-46-40(65-45(57)30-10-20-35(51)21-11-30)39(64-44(56)29-8-18-34(50)19-9-29)38(63-43(55)28-6-16-33(49)17-7-28)37(62-46)24-60-42(54)27-4-14-32(48)15-5-27/h2-21,36-40,46H,22-24H2,1H3/t36?,37-,38-,39+,40-,46-/m1/s1 |
InChIKey | YKDFVJBLQYTQGL-GQSPIAEYSA-N |
Literature Reference Author | M.KANEDA |
Literature Reference Citation | PHYTOCHEM.,29,3559(1990) |
Literature Reference DOI | 10.1016/0031-9422(90)85276-L |
Molecular Weight | 1211.295 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU26867 |