| SpectraBase Compound ID | BFELW1rFcca |
|---|---|
| InChI | InChI=1S/C31H42N4O4/c1-20(2)18-26(35(5)6)30(37)34-27-28(21(3)4)39-24-14-12-22(13-15-24)16-17-32-29(36)25(33-31(27)38)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26?,27-,28-/m1/s1 |
| InChIKey | KNWLTQIEQCDNSD-PBIRQHLQSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C31H42N4O4 |
| Exact Mass | 534.320606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KE7Ofmj9mej |
|---|---|
| Name | WALTHERINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42N4O4 |
| InChI | InChI=1S/C31H42N4O4/c1-20(2)18-26(35(5)6)30(37)34-27-28(21(3)4)39-24-14-12-22(13-15-24)16-17-32-29(36)25(33-31(27)38)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26?,27-,28-/m1/s1 |
| InChIKey | KNWLTQIEQCDNSD-PBIRQHLQSA-N |
| Literature Reference Author | A.F.MOREL,I.T.S.GEHRKE,M.A.MOSTARDEIRO,E.M.ETHUR,N.ZANATTA,E .C.S.MACHADO |
| Literature Reference Citation | PHYTOCHEM.,51,473(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00025-4 |
| Molecular Weight | 534.699 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWUC348 |