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KULOKEKAHILIDE-2;TRANS-ISOMER
SpectraBase Compound ID 1BUulzAPudI
InChI InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29+,30-,31+,33+,34+,35-,37+,38-/m1/s1
InChIKey JUJXAYASADIXIM-OTCQREOTSA-N
Mol Weight 826.0 g/mol
Molecular Formula C44H67N5O10
Exact Mass 825.488793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk4XI5m7m9t
Name KULOKEKAHILIDE-2;TRANS-ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H67N5O10
InChI InChI=1S/C44H67N5O10/c1-13-26(5)37-40(53)46-31(10)44(57)59-38(27(6)14-2)29(8)34(50)21-20-28(7)43(56)58-35(22-25(3)4)39(52)45-30(9)41(54)49(12)33(23-32-18-16-15-17-19-32)42(55)48(11)24-36(51)47-37/h14-20,25-26,29-31,33-35,37-38,50H,13,21-24H2,1-12H3,(H,45,52)(H,46,53)(H,47,51)/b27-14+,28-20+/t26-,29+,30-,31+,33+,34+,35-,37+,38-/m1/s1
InChIKey JUJXAYASADIXIM-OTCQREOTSA-N
Literature Reference Author Y.NAKAO,W.Y.YOSHIDA,Y.TAKADA,J.KIMURA,L.YANG,S.L.MOOBERRY,P. J.SCHEUER
Literature Reference Citation J.NAT.PROD.,67,1332(2004)
Literature Reference DOI 10.1021/np049949f
Molecular Weight 826.043 g/mol
Solvent CD2Cl2
Source File Reference UWMZ7483