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EMERICELLAMIDE_A
SpectraBase Compound ID HKZvtabe5M2
InChI InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t19-,20+,21-,22-,23-,25-,26+/m0/s1
InChIKey QURRTAYEASAREY-OOVPVTRWSA-N
Mol Weight 609.8 g/mol
Molecular Formula C31H55N5O7
Exact Mass 609.410149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uG6ZR7Dx3T
Name EMERICELLAMIDE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H55N5O7
InChI InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t19-,20+,21-,22-,23-,25-,26+/m0/s1
InChIKey QURRTAYEASAREY-OOVPVTRWSA-N
Literature Reference Author D.C.OH,C.A.KAUFFMAN,P.R.JENSEN,W.FENICAL
Literature Reference Citation J.NAT.PROD.,70,515(2007)
Literature Reference DOI 10.1021/np060381f
Molecular Weight 609.807 g/mol
Sample ID 30071
Solvent DMSO-D6