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BEAUVERICIN_G_1

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BEAUVERICIN_G_1
SpectraBase Compound ID 2CMl67lt9gW
InChI InChI=1S/C44H55N3O9/c1-9-36-39(48)45(6)34(26-31-21-15-11-16-22-31)43(52)55-38(29(4)5)41(50)47(8)35(27-32-23-17-12-18-24-32)44(53)56-37(28(2)3)40(49)46(7)33(42(51)54-36)25-30-19-13-10-14-20-30/h10-24,28-29,33-38H,9,25-27H2,1-8H3/t33-,34-,35-,36+,37+,38+/m0/s1
InChIKey YJRWEGKODHPDNW-YAQJXRFXSA-N
Mol Weight 769.9 g/mol
Molecular Formula C44H55N3O9
Exact Mass 769.39383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4VXt3RnhCu
Name BEAUVERICIN_G_1
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H55N3O9
InChI InChI=1S/C44H55N3O9/c1-9-36-39(48)45(6)34(26-31-21-15-11-16-22-31)43(52)55-38(29(4)5)41(50)47(8)35(27-32-23-17-12-18-24-32)44(53)56-37(28(2)3)40(49)46(7)33(42(51)54-36)25-30-19-13-10-14-20-30/h10-24,28-29,33-38H,9,25-27H2,1-8H3/t33-,34-,35-,36+,37+,38+/m0/s1
InChIKey YJRWEGKODHPDNW-YAQJXRFXSA-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 769.935 g/mol
Sample ID 31541
Solvent CDCl3