| SpectraBase Compound ID | KJlY6ZUdjMu |
|---|---|
| InChI | InChI=1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19-,20-,23-,24+,25-,26-,27-,28+,29-,31-,32+,33+,34-,35-/m0/s1 |
| InChIKey | NIEIJAOPLMFSMK-ZIMKJYRISA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C35H49NO10 |
| Exact Mass | 643.335647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwmLa7IniIw |
|---|---|
| Name | VANILLOYLZYGADENINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO10 |
| InChI | InChI=1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19-,20-,23-,24+,25-,26-,27-,28+,29-,31-,32+,33+,34-,35-/m0/s1 |
| InChIKey | NIEIJAOPLMFSMK-ZIMKJYRISA-N |
| Literature Reference Author | S.KADOTA,S.Z.CHEN,J.X.LI,G.J.XU,T.NAMBA |
| Literature Reference Citation | PHYTOCHEM.,38,777(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00672-G |
| Molecular Weight | 643.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3721 |