| SpectraBase Compound ID | 2j2DYguEImj |
|---|---|
| InChI | InChI=1S/C34H46O17/c1-44-19-11-16(12-20(45-2)31(19)50-33-28(42)26(40)24(38)22(14-36)48-33)7-5-9-18-17(8-6-10-35)13-21(46-3)32(30(18)47-4)51-34-29(43)27(41)25(39)23(15-37)49-34/h5-8,11-13,22-29,33-43H,9-10,14-15H2,1-4H3/b7-5+,8-6+/t22-,23-,24-,25-,26+,27+,28-,29-,33+,34+/m1/s1 |
| InChIKey | ARZBVSLYYBTHNA-XQRJDITASA-N |
| Mol Weight | 726.7 g/mol |
| Molecular Formula | C34H46O17 |
| Exact Mass | 726.2735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hs2BMgO2M5M |
|---|---|
| Name | TANGSHENOSIDE-III |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O17 |
| InChI | InChI=1S/C34H46O17/c1-44-19-11-16(12-20(45-2)31(19)50-33-28(42)26(40)24(38)22(14-36)48-33)7-5-9-18-17(8-6-10-35)13-21(46-3)32(30(18)47-4)51-34-29(43)27(41)25(39)23(15-37)49-34/h5-8,11-13,22-29,33-43H,9-10,14-15H2,1-4H3/b7-5+,8-6+/t22-,23-,24-,25-,26+,27+,28-,29-,33+,34+/m1/s1 |
| InChIKey | ARZBVSLYYBTHNA-XQRJDITASA-N |
| Literature Reference Author | M.YUDA,K.OHTANI,K.MIZUTANI,R.KASAI,O.TANAKA,M.R.JIA,Y.R.LING ,X.F.PU,Y.I.SARUWAT |
| Literature Reference Citation | PHYTOCHEM.,29,1989(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85053-I |
| Molecular Weight | 726.729 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU32253 |