| SpectraBase Compound ID | LBLyH95uBZb |
|---|---|
| InChI | InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m0/s1 |
| InChIKey | MZSHQEJWMYSZEP-BVDZNRCASA-N |
| Mol Weight | 599.7 g/mol |
| Molecular Formula | C35H37NO8 |
| Exact Mass | 599.251917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEWHKtCkPMi |
|---|---|
| Name | REGELIDINE;1,8-DIBENZOYL-4-HYDROXY-5-NICOTINOYL-DIHYDROAGAROFURAN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H37NO8 |
| InChI | InChI=1S/C35H37NO8/c1-32(2)25-20-27(42-30(38)23-14-9-6-10-15-23)34(4)26(41-29(37)22-12-7-5-8-13-22)17-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-11-19-36-21-24/h5-16,19,21,25-28,40H,17-18,20H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m0/s1 |
| InChIKey | MZSHQEJWMYSZEP-BVDZNRCASA-N |
| Literature Reference Author | H.Q.DUAN,Y.TAKAISHI,Y.F.JIA,D.LI |
| Literature Reference Citation | PHYTOCHEM.,56,341(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00369-1 |
| Molecular Weight | 599.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1731 |