| SpectraBase Compound ID | 53zKpznMPF5 |
|---|---|
| InChI | InChI=1S/C39H66O12/c1-18(2)7-10-26(42)19(3)29-27(16-25-23-9-8-21-15-22(41)11-13-38(21,5)24(23)12-14-39(25,29)6)49-37-34(47)35(31(44)28(17-40)50-37)51-36-33(46)32(45)30(43)20(4)48-36/h8,18-20,22-37,40-47H,7,9-17H2,1-6H3/t19-,20+,22+,23-,24+,25+,26-,27+,28-,29?,30+,31+,32-,33-,34-,35+,36+,37-,38+,39-/m1/s1 |
| InChIKey | FIGXPOAUWNKMCE-DRVBSFPKSA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C39H66O12 |
| Exact Mass | 726.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HAoiRvAFjf |
|---|---|
| Name | SCHUBERTOSIDE-B |
| Compound Number | 121 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66O12 |
| InChI | InChI=1S/C39H66O12/c1-18(2)7-10-26(42)19(3)29-27(16-25-23-9-8-21-15-22(41)11-13-38(21,5)24(23)12-14-39(25,29)6)49-37-34(47)35(31(44)28(17-40)50-37)51-36-33(46)32(45)30(43)20(4)48-36/h8,18-20,22-37,40-47H,7,9-17H2,1-6H3/t19-,20+,22+,23-,24+,25+,26-,27+,28-,29?,30+,31+,32-,33-,34-,35+,36+,37-,38+,39-/m1/s1 |
| InChIKey | FIGXPOAUWNKMCE-DRVBSFPKSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 726.946 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22209 |