| SpectraBase Compound ID | KMC17lu38r4 |
|---|---|
| InChI | InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27?,28+,29+,30+/m0/s1 |
| InChIKey | ZNUMAFXIQXNMMH-CHADTBCFSA-N |
| Mol Weight | 573.7 g/mol |
| Molecular Formula | C33H43N5O4 |
| Exact Mass | 573.331505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PImpvxGcEx |
|---|---|
| Name | WALTHERINE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43N5O4 |
| InChI | InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27?,28+,29+,30+/m0/s1 |
| InChIKey | ZNUMAFXIQXNMMH-CHADTBCFSA-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 | 573.736 g/mol |
| Solvent | CDCl3:DMSO-D6=9:1 |
| Source File Reference | UWUC349 |