| SpectraBase Compound ID | DMbHHxwgQKY |
|---|---|
| InChI | InChI=1S/C41H54O25/c1-16(42)53-14-27-31(57-19(4)45)33(58-20(5)46)35(60-22(7)48)39(62-27)64-32-28(15-54-17(2)43)63-40(36(61-23(8)49)34(32)59-21(6)47)65-38-30-29(25(13-55-38)37(51)52-11)26(56-18(3)44)12-41(30,10)66-24(9)50/h13,26-36,38-40H,12,14-15H2,1-11H3/t26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FIFWIRXFMFLVPT-RERDCZJLSA-N |
| Mol Weight | 946.9 g/mol |
| Molecular Formula | C41H54O25 |
| Exact Mass | 946.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrMoBHYArwk |
|---|---|
| Name | PEDICULARIOSIDE-F-NONAACETATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54O25 |
| InChI | InChI=1S/C41H54O25/c1-16(42)53-14-27-31(57-19(4)45)33(58-20(5)46)35(60-22(7)48)39(62-27)64-32-28(15-54-17(2)43)63-40(36(61-23(8)49)34(32)59-21(6)47)65-38-30-29(25(13-55-38)37(51)52-11)26(56-18(3)44)12-41(30,10)66-24(9)50/h13,26-36,38-40H,12,14-15H2,1-11H3/t26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FIFWIRXFMFLVPT-RERDCZJLSA-N |
| Literature Reference Author | J.ZHONGJIAN,L.ZIMIN,W.CHANGZENG |
| Literature Reference Citation | PHYTOCHEM.,31,263(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83050-U |
| Molecular Weight | 946.865 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU5313 |