| SpectraBase Compound ID | DTnutcGx353 |
|---|---|
| InChI | InChI=1S/C33H45NO17/c1-4-15-17(8-19-16-9-21(38)20(37)7-14(16)5-6-34(19)13(2)36)18(30(45)46-3)11-47-31(15)51-33-29(44)27(42)25(40)23(50-33)12-48-32-28(43)26(41)24(39)22(10-35)49-32/h4,7,9,11,15,17,19,22-29,31-33,35,37-44H,1,5-6,8,10,12H2,2-3H3/t15-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,31+,32+,33-/m0/s1 |
| InChIKey | NZRIAMCQBSTDCE-XGNJHKAVSA-N |
| Mol Weight | 727.7 g/mol |
| Molecular Formula | C33H45NO17 |
| Exact Mass | 727.268749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pjw4Q227sh |
|---|---|
| Name | 6''-O-BETA-D-GLUCOPYRANOSYLIPECOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45NO17 |
| InChI | InChI=1S/C33H45NO17/c1-4-15-17(8-19-16-9-21(38)20(37)7-14(16)5-6-34(19)13(2)36)18(30(45)46-3)11-47-31(15)51-33-29(44)27(42)25(40)23(50-33)12-48-32-28(43)26(41)24(39)22(10-35)49-32/h4,7,9,11,15,17,19,22-29,31-33,35,37-44H,1,5-6,8,10,12H2,2-3H3/t15-,17+,19-,22+,23+,24+,25+,26-,27-,28+,29+,31+,32+,33-/m0/s1 |
| InChIKey | NZRIAMCQBSTDCE-XGNJHKAVSA-N |
| Literature Reference Author | A.ITOH,Y.BABA,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,59,91(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00418-6 |
| Molecular Weight | 727.717 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2505 |