SpectraBase Compound ID | 2La6LlEzrGq |
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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-FVSZKYTLSA-N |
Mol Weight | 898.9 g/mol |
Molecular Formula | C43H50N2O19 |
Exact Mass | 898.300777 g/mol |
SpectraBase Spectrum ID | I65X4qFgtAt |
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Name | EMARGINATINE-A |
Compound Number | 1 |
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-FVSZKYTLSA-N |
Literature Reference Author | Y.H.KUO,C.H.CHEN,L.M.Y.KUO,M.L.KING,T.S.WU,M.HARUNA,K.H.LEE |
Literature Reference Citation | J.NAT.PROD.,53,422(1990) |
Literature Reference DOI | 10.1021/np50068a021 |
Molecular Weight | 898.872 g/mol |
Solvent | Unknown |
Source File Reference | UWED17131 |