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Destruxin B - methyl ester
SpectraBase Compound ID 9tORcf9s0n1
InChI InChI=1S/C31H55N5O8/c1-11-20(6)25(33-28(40)22-13-12-16-36(22)29(41)23(37)17-18(2)3)30(42)35(9)26(19(4)5)31(43)34(8)21(7)27(39)32-15-14-24(38)44-10/h18-23,25-26,37H,11-17H2,1-10H3,(H,32,39)(H,33,40)
InChIKey BNJFAGLZPCQBJJ-UHFFFAOYSA-N
Mol Weight 625.8 g/mol
Molecular Formula C31H55N5O8
Exact Mass 625.405064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzZIcaDBFrv
Name Destruxin B - methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H55N5O8
InChI InChI=1S/C31H55N5O8/c1-11-20(6)25(33-28(40)22-13-12-16-36(22)29(41)23(37)17-18(2)3)30(42)35(9)26(19(4)5)31(43)34(8)21(7)27(39)32-15-14-24(38)44-10/h18-23,25-26,37H,11-17H2,1-10H3,(H,32,39)(H,33,40)
InChIKey BNJFAGLZPCQBJJ-UHFFFAOYSA-N
Molecular Weight 625.808 g/mol
SMILES N(C(C(N(C(C(N(C(C(NC(C1N(C(C(CC(C)C)O)=O)CCC1)=O)C(CC)C)=O)C)C(C)C)=O)C)C)=O)CCC(=O)OC
SPLASH splash10-000i-9010100000-8f8898c4e5a53ad7fe18
Source of Spectrum X2-50-406-6
Wiley ID 1602224