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ENNIATIN-MK1688
SpectraBase Compound ID 8rXqRyf3y4A
InChI InChI=1S/C36H63N3O9/c1-16-22(10)28-31(40)37(13)26(20(6)7)35(44)47-30(24(12)18-3)33(42)39(15)27(21(8)9)36(45)48-29(23(11)17-2)32(41)38(14)25(19(4)5)34(43)46-28/h19-30H,16-18H2,1-15H3/t22?,23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey KMROBKXFMBWHHE-QVCGOMGBSA-N
Mol Weight 681.9 g/mol
Molecular Formula C36H63N3O9
Exact Mass 681.456431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwK4XB04cnk
Name ENNIATIN-MK1688
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H63N3O9
InChI InChI=1S/C36H63N3O9/c1-16-22(10)28-31(40)37(13)26(20(6)7)35(44)47-30(24(12)18-3)33(42)39(15)27(21(8)9)36(45)48-29(23(11)17-2)32(41)38(14)25(19(4)5)34(43)46-28/h19-30H,16-18H2,1-15H3/t22?,23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey KMROBKXFMBWHHE-QVCGOMGBSA-N
Literature Reference Author H.S.LEE,H.H.SONG,J.H.JEONG,C.G.SHIN,S.U.CHOI,C.LEE
Literature Reference Citation TOXICON,51,1178(2008)
Literature Reference DOI 10.1016/j.toxicon.2008.02.002
Molecular Weight 681.911 g/mol
Source File Reference UWIR6491