John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Fj3hszdjdW2 SpectraBase Spectrum ID=2V0RK57Yxvv

(accessed ).
E-SECO-MACRALSTONINE
SpectraBase Compound ID Fj3hszdjdW2
InChI InChI=1S/C43H52N4O5/c1-22(49)26(27-14-39-42-30(16-36(44(39)3)32(27)19-48)25-10-8-9-11-35(25)46(42)5)12-24-13-29-31-17-37-34-21-52-20-33(23(2)50)28(34)15-40(45(37)4)43(31)47(6)38(29)18-41(24)51-7/h8-11,13,18,20,26-28,32,34,36-37,39-40,48H,12,14-17,19,21H2,1-7H3/t26-,27-,28-,32+,34+,36-,37-,39-,40-/m0/s1
InChIKey IVWWZRUIGFCZGZ-YASDESCJSA-N
Mol Weight 704.9 g/mol
Molecular Formula C43H52N4O5
Exact Mass 704.393771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V0RK57Yxvv
Name E-SECO-MACRALSTONINE
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H52N4O5
InChI InChI=1S/C43H52N4O5/c1-22(49)26(27-14-39-42-30(16-36(44(39)3)32(27)19-48)25-10-8-9-11-35(25)46(42)5)12-24-13-29-31-17-37-34-21-52-20-33(23(2)50)28(34)15-40(45(37)4)43(31)47(6)38(29)18-41(24)51-7/h8-11,13,18,20,26-28,32,34,36-37,39-40,48H,12,14-17,19,21H2,1-7H3/t26-,27-,28-,32+,34+,36-,37-,39-,40-/m0/s1
InChIKey IVWWZRUIGFCZGZ-YASDESCJSA-N
Literature Reference Author S.H.LIM,Y.Y.LOW,S.J.TAN,K.H.LIM,N.F.THOMAS,T.S.KAM
Literature Reference Citation J.NAT.PROD.,75,942(2012)
Literature Reference DOI 10.1021/np300120p
Molecular Weight 704.910 g/mol
Sample ID 40451
Solvent CDCl3
SpectraBase Batch ID Ag0bgh92Ask