| SpectraBase Compound ID | DpuyZzDsU40 |
|---|---|
| InChI | InChI=1S/C42H64O18/c1-19-38(60-40-37(52)35(50)33(48)28(59-40)18-55-39-36(51)34(49)32(47)27(16-43)58-39)26(53-4)15-31(56-19)57-22-9-11-41(2)21(14-22)5-7-25(44)24(41)10-12-42(3)23(6-8-29(42)45)20-13-30(46)54-17-20/h6,13,19,21-22,24,26-29,31-40,43,45,47-52H,5,7-12,14-18H2,1-4H3/t19-,21-,22+,24?,26-,27+,28+,29-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41+,42+/m1/s1 |
| InChIKey | XZMUWDGNSJDSHY-GRNARGPRSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C42H64O18 |
| Exact Mass | 856.409265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CobVLTf10Y3 |
|---|---|
| Name | DELTA(16)-NERIAGENIN-BETA-NERITRIOSIDE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O18 |
| InChI | InChI=1S/C42H64O18/c1-19-38(60-40-37(52)35(50)33(48)28(59-40)18-55-39-36(51)34(49)32(47)27(16-43)58-39)26(53-4)15-31(56-19)57-22-9-11-41(2)21(14-22)5-7-25(44)24(41)10-12-42(3)23(6-8-29(42)45)20-13-30(46)54-17-20/h6,13,19,21-22,24,26-29,31-40,43,45,47-52H,5,7-12,14-18H2,1-4H3/t19-,21-,22+,24?,26-,27+,28+,29-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41+,42+/m1/s1 |
| InChIKey | XZMUWDGNSJDSHY-GRNARGPRSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,2459(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83299-E |
| Molecular Weight | 856.959 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28803 |