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ENNIATIN-A1

View entire compound with spectra: 1 NMR

ENNIATIN-A1
SpectraBase Compound ID KoH9d4aaNyp
InChI InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22?,23?,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey OWUREPXBPJFMOK-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 J7hcz3YSDQq
Name ENNIATIN-A1
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)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22?,23?,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey OWUREPXBPJFMOK-BUMBUTMDSA-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 667.884 g/mol
Solvent CDCl3
Source File Reference UWVP631