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ENNIATIN-A

View entire compound with spectra: 1 NMR

ENNIATIN-A
SpectraBase Compound ID CGIATdtvEtV
InChI InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22?,23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey TWHBYJSVDCWICV-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 GSUNVXGnmHy
Name ENNIATIN-A
Compound Number 1
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)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22?,23?,24?,25-,26-,27-,28+,29+,30+/m1/s1
InChIKey TWHBYJSVDCWICV-QVCGOMGBSA-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 UWVP630