| SpectraBase Compound ID | AZGsvhAgxVZ |
|---|---|
| InChI | InChI=1S/C34H38O17/c35-12-19-22(40)24(42)26(44)30(50-19)33(11-15-3-8-17(38)9-4-15)28(46)21(18(39)10-5-14-1-6-16(37)7-2-14)29(47)34(49,32(33)48)31-27(45)25(43)23(41)20(13-36)51-31/h1-10,19-20,22-27,30-31,35-45,49H,11-13H2/b10-5+,21-18+/t19-,20-,22-,23-,24+,25+,26-,27-,30+,31+,33+,34+/m1/s1 |
| InChIKey | LJFXISDDRADUAD-FPPGKTPHSA-N |
| Mol Weight | 718.7 g/mol |
| Molecular Formula | C34H38O17 |
| Exact Mass | 718.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FaF1stk1EYI |
|---|---|
| Name | SAFFLOQUINOSIDE-B |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O17 |
| InChI | InChI=1S/C34H38O17/c35-12-19-22(40)24(42)26(44)30(50-19)33(11-15-3-8-17(38)9-4-15)28(46)21(18(39)10-5-14-1-6-16(37)7-2-14)29(47)34(49,32(33)48)31-27(45)25(43)23(41)20(13-36)51-31/h1-10,19-20,22-27,30-31,35-45,49H,11-13H2/b10-5+,21-18+/t19-,20-,22-,23-,24+,25+,26-,27-,30+,31+,33+,34+/m1/s1 |
| InChIKey | LJFXISDDRADUAD-FPPGKTPHSA-N |
| Literature Reference Author | S.YUE,Y.TANG,S.LI,J.A.DUAN |
| Literature Reference Citation | MOLECULES,18,15220(2013) |
| Literature Reference DOI | 10.3390/molecules181215220 |
| Molecular Weight | 718.666 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR9961 |