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ADOCIASULFATE-3
SpectraBase Compound ID 4OX7KDcRvhJ
InChI InChI=1S/C36H56O10S2.2Na/c1-25(2)11-8-22-36(7,38)33(37)19-14-26(3)12-9-20-34(5)21-10-13-31-30(34)17-15-27(4)35(31,6)24-28-23-29(45-47(39,40)41)16-18-32(28)46-48(42,43)44;;/h11-12,16,18,23,27,33,37-38H,8-10,13-15,17,19-22,24H2,1-7H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b26-12+;;/t27-,33-,34?,35+,36+;;/m0../s1
InChIKey SDEKNOJWBWRIGS-BVDOLXDCSA-L
Mol Weight 756.91753856 g/mol
Molecular Formula C36H54Na2O10S2
Exact Mass 756.295379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPffD7rvBWj
Name ADOCIASULFATE-3
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54Na2O10S2
InChI InChI=1S/C36H56O10S2.2Na/c1-25(2)11-8-22-36(7,38)33(37)19-14-26(3)12-9-20-34(5)21-10-13-31-30(34)17-15-27(4)35(31,6)24-28-23-29(45-47(39,40)41)16-18-32(28)46-48(42,43)44;;/h11-12,16,18,23,27,33,37-38H,8-10,13-15,17,19-22,24H2,1-7H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b26-12+;;/t27-,33-,34?,35+,36+;;/m0../s1
InChIKey SDEKNOJWBWRIGS-BVDOLXDCSA-L
Literature Reference Author C.L.BLACKBURN,C.HOPMANN,R.SAKOWICZ,M.S.BERDELIS,L.S.B.GOLDST EIN,D.J.FAULKNER
Literature Reference Citation J.ORG.CHEM.,64,5565(1999)
Literature Reference DOI 10.1021/jo9824448
Molecular Weight 756.918 g/mol
Sample ID 41322
Solvent CD3OD