| SpectraBase Compound ID | 2TQe0aTCrQU |
|---|---|
| InChI | InChI=1S/C36H40O17/c1-17(37)42-14-30-33(50-19(3)39)34(51-20(4)40)35(52-21(5)41)36(53-30)44-13-24-25(12-43-31(24)22-6-8-26-28(10-22)47-15-45-26)32(49-18(2)38)23-7-9-27-29(11-23)48-16-46-27/h6-11,24-25,30-36H,12-16H2,1-5H3/t24-,25-,30-,31-,32?,33-,34+,35-,36-/m1/s1 |
| InChIKey | MFFDNEZBKWXPJR-TZAQJXBESA-N |
| Mol Weight | 744.7 g/mol |
| Molecular Formula | C36H40O17 |
| Exact Mass | 744.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNhD9qDZdao |
|---|---|
| Name | TIBETICOSIDE_PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O17 |
| InChI | InChI=1S/C36H40O17/c1-17(37)42-14-30-33(50-19(3)39)34(51-20(4)40)35(52-21(5)41)36(53-30)44-13-24-25(12-43-31(24)22-6-8-26-28(10-22)47-15-45-26)32(49-18(2)38)23-7-9-27-29(11-23)48-16-46-27/h6-11,24-25,30-36H,12-16H2,1-5H3/t24-,25-,30-,31-,32?,33-,34+,35-,36-/m1/s1 |
| InChIKey | MFFDNEZBKWXPJR-TZAQJXBESA-N |
| Literature Reference Author | B.SU,K.GAO,C.YUAN,Z.JIA |
| Literature Reference Citation | PLANTA.MED.,65,558(1999) |
| Literature Reference DOI | 10.1055/s-1999-14026 |
| Molecular Weight | 744.703 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP1305 |