| SpectraBase Compound ID | 21KaA4YAVc3 |
|---|---|
| InChI | InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45;;/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3;2*1H/q+2;;/p-2/b25-11-,26-12-,29-21-,30-22-;;/t27-,28+,35-,36-,37+,38+,39-,40-,43?,44?;;/m1../s1 |
| InChIKey | UAMHUVZCGJSLHZ-QFGPECJQSA-L |
| Mol Weight | 685.74 g/mol |
| Molecular Formula | C40H46Cl2N4O2 |
| Exact Mass | 684.299782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbHze5Fj1ww |
|---|---|
| Name | TOXIFERINE-I |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46Cl2N4O2 |
| InChI | InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45;;/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3;2*1H/q+2;;/p-2/b25-11-,26-12-,29-21-,30-22-;;/t27-,28+,35-,36-,37+,38+,39-,40-,43?,44?;;/m1../s1 |
| InChIKey | UAMHUVZCGJSLHZ-QFGPECJQSA-L |
| Literature Reference Author | E.WENKERT,H.T.A.CHEUNG,H.E.GOTTLIEB,M.C.KOCH,A.RABARON,M.M.P LAT |
| Literature Reference Citation | J.ORG.CHEM.,43,1099(1978) |
| Literature Reference DOI | 10.1021/jo00400a017 |
| Molecular Weight | 685.737 g/mol |
| Solvent | CH3OH:D2O=5:1 |
| Source File Reference | UNIW20915 |