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ADOCIASULFATE-6
SpectraBase Compound ID H6fIQAjKioQ
InChI InChI=1S/C36H54O6S.Na/c1-31(2)15-8-16-36(7)25(31)11-18-34(5)27-12-17-33(4)26(32(27,3)20-14-29(34)41-36)13-19-35(6)28(33)21-22-23(37)9-10-24(30(22)35)42-43(38,39)40;/h9-10,25-29,37H,8,11-21H2,1-7H3,(H,38,39,40);/q;+1/p-1/t25-,26+,27+,28-,29-,32+,33+,34-,35-,36-;/m0./s1
InChIKey DAUZUDCGBNOZGQ-MWYPCIEVSA-M
Mol Weight 636.86376928 g/mol
Molecular Formula C36H53NaO6S
Exact Mass 636.346055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEYADLaLELi
Name ADOCIASULFATE-6
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53NaO6S
InChI InChI=1S/C36H54O6S.Na/c1-31(2)15-8-16-36(7)25(31)11-18-34(5)27-12-17-33(4)26(32(27,3)20-14-29(34)41-36)13-19-35(6)28(33)21-22-23(37)9-10-24(30(22)35)42-43(38,39)40;/h9-10,25-29,37H,8,11-21H2,1-7H3,(H,38,39,40);/q;+1/p-1/t25-,26+,27+,28-,29-,32+,33+,34-,35-,36-;/m0./s1
InChIKey DAUZUDCGBNOZGQ-MWYPCIEVSA-M
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 636.863 g/mol
Sample ID 41325
Solvent CD3OD