| SpectraBase Compound ID | JtNy4KsBZDv |
|---|---|
| InChI | InChI=1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3/t19?,20?,29-,31-,32+,33-,34+,35-,36+,40-,41+,42-,43+/m1/s1 |
| InChIKey | QLEWEJBYJKTAKW-AMJPUZTBSA-N |
| Mol Weight | 898.9 g/mol |
| Molecular Formula | C43H50N2O19 |
| Exact Mass | 898.300777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtgrEEptvAl |
|---|---|
| Name | EMARGINATINE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H50N2O19 |
| InChI | InChI=1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3/t19?,20?,29-,31-,32+,33-,34+,35-,36+,40-,41+,42-,43+/m1/s1 |
| InChIKey | QLEWEJBYJKTAKW-AMJPUZTBSA-N |
| Literature Reference Author | Y.H.KUO,J.C.OU,K.H.LEE,C.F.CHEN |
| Literature Reference Citation | J.NAT.PROD.,58,1103(1995) |
| Literature Reference DOI | 10.1021/np50121a022 |
| Molecular Weight | 898.872 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP6678 |