| SpectraBase Compound ID | 7s7K6tNdY4e |
|---|---|
| InChI | InChI=1S/C35H37NO8/c1-32(2)25-21-27(42-30(38)23-13-9-6-10-14-23)34(4)26(41-29(37)22-11-7-5-8-12-22)15-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-19-36-20-17-24/h5-14,16-17,19-20,25-28,40H,15,18,21H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m0/s1 |
| InChIKey | JOBJVJDFUCOPFT-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 | ISg0AJ9tw3O |
|---|---|
| Name | TWHR-3;REGELIDINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H37NO8 |
| InChI | InChI=1S/C35H37NO8/c1-32(2)25-21-27(42-30(38)23-13-9-6-10-14-23)34(4)26(41-29(37)22-11-7-5-8-12-22)15-18-33(3,40)35(34,44-32)28(25)43-31(39)24-16-19-36-20-17-24/h5-14,16-17,19-20,25-28,40H,15,18,21H2,1-4H3/t25-,26+,27+,28-,33+,34+,35+/m0/s1 |
| InChIKey | JOBJVJDFUCOPFT-BVDZNRCASA-N |
| Literature Reference Author | K.NAKANO,C.YOSHIDA,W.FURUKAWA,Y.TAKAISHI,K.SHISHIDO |
| Literature Reference Citation | PHYTOCHEM.,49,1821(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00300-8 |
| Molecular Weight | 599.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU729 |