SpectraBase Compound ID | Ah03WuYR7Cl |
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InChI | InChI=1S/C36H40O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-25(26(15-30(43)46-6)27(16-49-35)34(44)45)13-14-47-29(42)12-9-23-7-10-24(11-8-23)50-19(2)38/h7-13,16,26,28,31-33,35-36H,14-15,17H2,1-6H3,(H,44,45)/b12-9+,25-13+/t26-,28+,31+,32-,33+,35-,36-/m0/s1 |
InChIKey | KNXZUDKASSQIJN-HQTXQIFMSA-N |
Mol Weight | 776.7 g/mol |
Molecular Formula | C36H40O19 |
Exact Mass | 776.216379 g/mol |
SpectraBase Spectrum ID | DSYjFzIF33A |
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Name | JASLANCEOSIDE_B_PENTAACETATE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H40O19 |
InChI | InChI=1S/C36H40O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-25(26(15-30(43)46-6)27(16-49-35)34(44)45)13-14-47-29(42)12-9-23-7-10-24(11-8-23)50-19(2)38/h7-13,16,26,28,31-33,35-36H,14-15,17H2,1-6H3,(H,44,45)/b12-9+,25-13+/t26-,28+,31+,32-,33+,35-,36-/m0/s1 |
InChIKey | KNXZUDKASSQIJN-HQTXQIFMSA-N |
Literature Reference Author | Y.-C.SHEN,S.-L.LIN |
Literature Reference Citation | PLANTA.MED.,62,515(1996) |
Literature Reference DOI | 10.1055/s-2006-957960 |
Molecular Weight | 776.702 g/mol |
Solvent | CDCl3 |
Source File Reference | UIAP866 |