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ENNIATIN-B1

View entire compound with spectra: 1 NMR

ENNIATIN-B1
SpectraBase Compound ID HHgjHVCwPgf
InChI InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22?,23-,24-,25-,26+,27+,28+/m1/s1
InChIKey UQCSETXJXJTMKO-JWXLACOISA-N
Mol Weight 653.9 g/mol
Molecular Formula C34H59N3O9
Exact Mass 653.42513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGci3HrREpz
Name ENNIATIN-B1
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H59N3O9
InChI InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22?,23-,24-,25-,26+,27+,28+/m1/s1
InChIKey UQCSETXJXJTMKO-JWXLACOISA-N
Literature Reference Author L.A.BLAIS,J.W.APSIMON,B.A.BLACKWELL,R.GREENHALGH,J.D.MILLER
Literature Reference Citation CAN.J.CHEM.,70,1281(1992)
Literature Reference DOI 10.1139/v92-165
Molecular Weight 653.857 g/mol
Solvent CDCl3
Source File Reference UWVP632