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BEAUVERICIN_H_3

View entire compound with spectra: 1 NMR

BEAUVERICIN_H_3
SpectraBase Compound ID E1BJejMz9I8
InChI InChI=1S/C45H54F3N3O9/c1-25(2)37-40(52)49(7)35(23-29-14-11-17-32(47)20-29)44(56)59-39(27(5)6)42(54)51(9)36(24-30-15-12-18-33(48)21-30)45(57)60-38(26(3)4)41(53)50(8)34(43(55)58-37)22-28-13-10-16-31(46)19-28/h10-21,25-27,34-39H,22-24H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1
InChIKey ZLBHOQHYWAOFEC-FFCOJMSVSA-N
Mol Weight 837.9 g/mol
Molecular Formula C45H54F3N3O9
Exact Mass 837.381215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnHWuf74Yls
Name BEAUVERICIN_H_3
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H54F3N3O9
InChI InChI=1S/C45H54F3N3O9/c1-25(2)37-40(52)49(7)35(23-29-14-11-17-32(47)20-29)44(56)59-39(27(5)6)42(54)51(9)36(24-30-15-12-18-33(48)21-30)45(57)60-38(26(3)4)41(53)50(8)34(43(55)58-37)22-28-13-10-16-31(46)19-28/h10-21,25-27,34-39H,22-24H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1
InChIKey ZLBHOQHYWAOFEC-FFCOJMSVSA-N
Literature Reference Author Y.XU,J.ZHAN,E.M.K.WIJERATNE,A.M.BURNS,A.A.L.GUNATILAKA,I.MOL NAR
Literature Reference Citation J.NAT.PROD.,70,1467(2007)
Literature Reference DOI 10.1021/np070262f
Molecular Weight 837.934 g/mol
Sample ID 31544
Solvent ACETONE-D6