| SpectraBase Compound ID | AYst1K7ix3B |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19?,20-,21+,22?,23?,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | XCHARIIIZLLEBL-XJSXJFKHSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYc1jaA8HAn |
|---|---|
| Name | MEDICAGENIN-3-O-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19?,20-,21+,22?,23?,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | XCHARIIIZLLEBL-XJSXJFKHSA-N |
| Literature Reference Author | A.MARSTON,F.GAFNER,S.F.DOSSAJI,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,27,1325(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80186-9 |
| Molecular Weight | 664.834 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK571 |