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ENNIATIN_J2

View entire compound with spectra: 1 NMR

ENNIATIN_J2
SpectraBase Compound ID 6kbjB4EGumw
InChI InChI=1S/2C32H55N3O9/c1-15-20(10)23-32(41)44-26(19(8)9)28(37)34(13)22(16(2)3)31(40)43-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)29(38)35(23)14;1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h2*16-26H,15H2,1-14H3/t2*20?,21-,22-,23-,24+,25+,26+/m00/s1
InChIKey WVQLESYEHGOZIM-MRHWHJKXSA-N
Mol Weight 1251.6 g/mol
Molecular Formula C64H110N6O18
Exact Mass 1250.787661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYTFkR07SY4
Name ENNIATIN_J2
Compound Number 7+ENNIATIN_J3;8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H110N6O18
InChI InChI=1S/2C32H55N3O9/c1-15-20(10)23-32(41)44-26(19(8)9)28(37)34(13)22(16(2)3)31(40)43-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)29(38)35(23)14;1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h2*16-26H,15H2,1-14H3/t2*20?,21-,22-,23-,24+,25+,26+/m00/s1
InChIKey WVQLESYEHGOZIM-MRHWHJKXSA-N
Literature Reference Author A.POHANKA,K.CAPIEAU,A.BROBERG,J.STENLID,E.STENSTROEM,L.KENNE
Literature Reference Citation J.NAT.PROD.,67,851(2004)
Literature Reference DOI 10.1021/np0340448
Molecular Weight 1251.607 g/mol
Solvent CD3OD
Source File Reference UWMZ7228