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ENNIATIN-A2

View entire compound with spectra: 1 NMR

ENNIATIN-A2
SpectraBase Compound ID D6Thk4DQjDT
InChI InChI=1S/C36H63N3O9/c1-16-23(11)26-35(44)47-28(20(5)6)31(40)37(13)25(18-19(3)4)34(43)46-29(21(7)8)32(41)38(14)27(24(12)17-2)36(45)48-30(22(9)10)33(42)39(26)15/h19-30H,16-18H2,1-15H3/t23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey VMUDDRIYPOJBCX-JZXIUTIDSA-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 BpgnM4ULRYX
Name ENNIATIN-A2
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H63N3O9
InChI InChI=1S/C36H63N3O9/c1-16-23(11)26-35(44)47-28(20(5)6)31(40)37(13)25(18-19(3)4)34(43)46-29(21(7)8)32(41)38(14)27(24(12)17-2)36(45)48-30(22(9)10)33(42)39(26)15/h19-30H,16-18H2,1-15H3/t23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey VMUDDRIYPOJBCX-JZXIUTIDSA-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 681.911 g/mol
Solvent CDCl3
Source File Reference UWVP633