SpectraBase Compound ID | 9FrvkE7NEGZ |
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InChI | InChI=1S/C36H52O16/c1-17(2)25(39)33(46)50-22(14-19-6-8-20(38)9-7-19)32(45)52-24-11-13-36(47,16-49-34-29(43)28(42)27(41)23(15-37)51-34)30-26(40)21(10-12-35(24,30)4)18(3)31(44)48-5/h6-9,17,21-30,34,37-43,47H,3,10-16H2,1-2,4-5H3/t21-,22?,23-,24+,25?,26-,27-,28+,29-,30+,34-,35-,36+/m1/s1 |
InChIKey | IXOSXWZLCNJRLS-RXMKHVHSSA-N |
Mol Weight | 740.8 g/mol |
Molecular Formula | C36H52O16 |
Exact Mass | 740.325536 g/mol |
SpectraBase Spectrum ID | 9u8BVyX7VO3 |
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Name | IXERISOSIDE-L |
Compound Number | 26 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H52O16 |
InChI | InChI=1S/C36H52O16/c1-17(2)25(39)33(46)50-22(14-19-6-8-20(38)9-7-19)32(45)52-24-11-13-36(47,16-49-34-29(43)28(42)27(41)23(15-37)51-34)30-26(40)21(10-12-35(24,30)4)18(3)31(44)48-5/h6-9,17,21-30,34,37-43,47H,3,10-16H2,1-2,4-5H3/t21-,22?,23-,24+,25?,26-,27-,28+,29-,30+,34-,35-,36+/m1/s1 |
InChIKey | IXOSXWZLCNJRLS-RXMKHVHSSA-N |
Literature Reference Author | T.WARASHINA,M.ISHINO,T.MIYASE,A.UENO |
Literature Reference Citation | PHYTOCHEM.,29,3217(1990) |
Literature Reference DOI | 10.1016/0031-9422(90)80188-M |
Molecular Weight | 740.799 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWKP6861 |