| SpectraBase Compound ID | 3I3UHTSvrS1 |
|---|---|
| InChI | InChI=1S/C36H49N5O6/c1-7-23(4)31(37-5)34(43)40-28(19-22(2)3)36(45)41-18-16-30-32(41)35(44)39-27(20-24-11-9-8-10-12-24)33(42)38-17-15-25-21-26(47-30)13-14-29(25)46-6/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/b17-15-/t23?,27-,28?,30-,31?,32?/m1/s1 |
| InChIKey | LLZKJMREUXHIRU-SXRZNYGCSA-N |
| Mol Weight | 647.8 g/mol |
| Molecular Formula | C36H49N5O6 |
| Exact Mass | 647.368284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GaGfsUJEkiU |
|---|---|
| Name | PALIURINE-I |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H49N5O6 |
| InChI | InChI=1S/C36H49N5O6/c1-7-23(4)31(37-5)34(43)40-28(19-22(2)3)36(45)41-18-16-30-32(41)35(44)39-27(20-24-11-9-8-10-12-24)33(42)38-17-15-25-21-26(47-30)13-14-29(25)46-6/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/b17-15-/t23?,27-,28?,30-,31?,32?/m1/s1 |
| InChIKey | LLZKJMREUXHIRU-SXRZNYGCSA-N |
| Literature Reference Author | S.S.LEE,W.C.SU,K.C.S.C.LIU |
| Literature Reference Citation | PHYTOCHEM.,58,1271(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00234-5 |
| Molecular Weight | 647.815 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3175 |