| SpectraBase Compound ID | 9tFZAanFb0H |
|---|---|
| InChI | InChI=1S/C42H62O18/c1-18-34(59-37-32(50)30(48)28(46)24(58-37)17-54-36-31(49)29(47)27(45)23(15-43)57-36)35(52-4)33(51)38(55-18)56-21-6-9-39(2)20(14-21)5-11-41-25(39)8-10-40(3)22(7-12-42(40,41)60-41)19-13-26(44)53-16-19/h7,13,18,20-21,23-25,27-38,43,45-51H,5-6,8-12,14-17H2,1-4H3/t18-,20-,21+,23+,24+,25-,27+,28+,29-,30-,31+,32+,33-,34+,35-,36+,37-,38+,39+,40-,41+,42-/m1/s1 |
| InChIKey | NSNKLWJSOIANEV-VXLBPNTISA-N |
| Mol Weight | 854.9 g/mol |
| Molecular Formula | C42H62O18 |
| Exact Mass | 854.393615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1fPx8u8oE6 |
|---|---|
| Name | DELTA(16)-ADYNERIGENIN-BETA-ODOROTRIOSIDE |
| Compound Number | 1 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O18 |
| InChI | InChI=1S/C42H62O18/c1-18-34(59-37-32(50)30(48)28(46)24(58-37)17-54-36-31(49)29(47)27(45)23(15-43)57-36)35(52-4)33(51)38(55-18)56-21-6-9-39(2)20(14-21)5-11-41-25(39)8-10-40(3)22(7-12-42(40,41)60-41)19-13-26(44)53-16-19/h7,13,18,20-21,23-25,27-38,43,45-51H,5-6,8-12,14-17H2,1-4H3/t18-,20-,21+,23+,24+,25-,27+,28+,29-,30-,31+,32+,33-,34+,35-,36+,37-,38+,39+,40-,41+,42-/m1/s1 |
| InChIKey | NSNKLWJSOIANEV-VXLBPNTISA-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 | 854.943 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28801 |