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ASPERTERRESTIDE_A;CYCLO-[ABA-D-ALA-ILE-3-(S)-OH-N-ME-PHE]
SpectraBase Compound ID ACeZa7nFJyJ
InChI InChI=1S/C26H32N4O5/c1-5-15(2)20-26(35)30(4)21(22(31)17-11-7-6-8-12-17)25(34)28-19-14-10-9-13-18(19)24(33)27-16(3)23(32)29-20/h6-16,20-22,31H,5H2,1-4H3,(H,27,33)(H,28,34)(H,29,32)/t15?,16-,20-,21-,22+/m1/s1
InChIKey AQBNNSWAQPPMPF-QZPRSPPASA-N
Mol Weight 480.6 g/mol
Molecular Formula C26H32N4O5
Exact Mass 480.23727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTeLj8nl04k
Name ASPERTERRESTIDE_A;CYCLO-[ABA-D-ALA-ILE-3-(S)-OH-N-ME-PHE]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N4O5
InChI InChI=1S/C26H32N4O5/c1-5-15(2)20-26(35)30(4)21(22(31)17-11-7-6-8-12-17)25(34)28-19-14-10-9-13-18(19)24(33)27-16(3)23(32)29-20/h6-16,20-22,31H,5H2,1-4H3,(H,27,33)(H,28,34)(H,29,32)/t15?,16-,20-,21-,22+/m1/s1
InChIKey AQBNNSWAQPPMPF-QZPRSPPASA-N
Literature Reference Author F.HE,J.BAO,X.Y.ZHANG,Z.C.TU,Y.M.SHI,S.H.QI
Literature Reference Citation J.NAT.PROD.,76,1182(2013)
Literature Reference DOI 10.1021/np300897v
Molecular Weight 480.564 g/mol
Sample ID 42678
Solvent CDCl3