| SpectraBase Compound ID | 3ioRS2KhkzE |
|---|---|
| InChI | InChI=1S/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)34(58-23(6)47)40(17-54-20(3)44)31(49)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19-,27-,29-,30+,31-,32-,33+,34+,38+,39+,40-,41+/m1/s1 |
| InChIKey | OOZYNQOOJZTXAC-ZBZQFWBBSA-N |
| Mol Weight | 856.8 g/mol |
| Molecular Formula | C41H48N2O18 |
| Exact Mass | 856.290213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ik7BNXU7SU2 |
|---|---|
| Name | EMARGINATINE-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H48N2O18 |
| InChI | InChI=1S/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)34(58-23(6)47)40(17-54-20(3)44)31(49)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3/t18-,19-,27-,29-,30+,31-,32-,33+,34+,38+,39+,40-,41+/m1/s1 |
| InChIKey | OOZYNQOOJZTXAC-ZBZQFWBBSA-N |
| Literature Reference Author | Y.H.KUO,C.H.CHEN,M.L.KING,T.S.WU,K.H.LEE |
| Literature Reference Citation | PHYTOCHEM.,35,803(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90610-1 |
| Molecular Weight | 856.835 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU25165 |