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ENNIATIN-I

View entire compound with spectra: 1 NMR

ENNIATIN-I
SpectraBase Compound ID 5En73iOt1gA
InChI InChI=1S/C35H61N3O9/c1-16-22(11)28-31(40)37(14)24(18(3)4)33(42)45-27(21(9)10)30(39)36(13)25(19(5)6)34(43)46-29(23(12)17-2)32(41)38(15)26(20(7)8)35(44)47-28/h18-29H,16-17H2,1-15H3/t22?,23?,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey APMPIOHITHNSGF-BUMBUTMDSA-N
Mol Weight 667.9 g/mol
Molecular Formula C35H61N3O9
Exact Mass 667.440781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XqwWl7mp9r
Name ENNIATIN-I
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H61N3O9
InChI InChI=1S/C35H61N3O9/c1-16-22(11)28-31(40)37(14)24(18(3)4)33(42)45-27(21(9)10)30(39)36(13)25(19(5)6)34(43)46-29(23(12)17-2)32(41)38(15)26(20(7)8)35(44)47-28/h18-29H,16-17H2,1-15H3/t22?,23?,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey APMPIOHITHNSGF-BUMBUTMDSA-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 667.884 g/mol
Source File Reference UWIR6490