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KAHALALIDE_Y
SpectraBase Compound ID 4ESkrNXvL88
InChI InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33?,34-,35-,36+,37+,40+/m1/s1
InChIKey LJNDDJVXTIZTOA-IBJPPFFWSA-N
Mol Weight 876.1 g/mol
Molecular Formula C46H65N7O10
Exact Mass 875.479291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeGQkH1XKBS
Name KAHALALIDE_Y
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H65N7O10
InChI InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33?,34-,35-,36+,37+,40+/m1/s1
InChIKey LJNDDJVXTIZTOA-IBJPPFFWSA-N
Literature Reference Author K.V.RAO,M.K.NA,J.C.COOK,J.PENG,R.MATSUMOTO,M.T.HAMANN
Literature Reference Citation J.NAT.PROD.,71,772(2008)
Literature Reference DOI 10.1021/np070508g
Molecular Weight 876.063 g/mol
Sample ID 28212
Solvent DMSO-D6