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N-(2-((5S,6S)-5-((Tert-butyldimethylsilyl)oxy)-6-(5-formyl-2- (methoxymethoxy)phenoxy) cyclohex-1-en-1-yl)ethyl)-N,4-dimethylbenzenesulfonamide
SpectraBase Compound ID Du94xbp5bMq
InChI InChI=1S/C31H45NO7SSi/c1-23-12-15-26(16-13-23)40(34,35)32(5)19-18-25-10-9-11-28(39-41(7,8)31(2,3)4)30(25)38-29-20-24(21-33)14-17-27(29)37-22-36-6/h10,12-17,20-21,28,30H,9,11,18-19,22H2,1-8H3/t28-,30-/m0/s1
InChIKey ANDFRJPTRKGNOT-JDXGNMNLSA-N
Mol Weight 603.8 g/mol
Molecular Formula C31H45NO7SSi
Exact Mass 603.2686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5SMnV1dkzr
Name N-(2-((5S,6S)-5-((Tert-butyldimethylsilyl)oxy)-6-(5-formyl-2- (methoxymethoxy)phenoxy) cyclohex-1-en-1-yl)ethyl)-N,4-dimethylbenzenesulfonamide
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Formula C31H45NO7SSi
InChI InChI=1S/C31H45NO7SSi/c1-23-12-15-26(16-13-23)40(34,35)32(5)19-18-25-10-9-11-28(39-41(7,8)31(2,3)4)30(25)38-29-20-24(21-33)14-17-27(29)37-22-36-6/h10,12-17,20-21,28,30H,9,11,18-19,22H2,1-8H3/t28-,30-/m0/s1
InChIKey ANDFRJPTRKGNOT-JDXGNMNLSA-N
Literature Reference DOI 10.1002/anie.201400286
Molecular Weight 603.846 g/mol
SMILES [C@@]1(Oc2cc(ccc2OCOC)C=O)(C(=CCC[C@@]1(O[Si](C(C)(C)C)(C)C)[H])CCN(C)S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0002-9700000000-e1d53908f8321a3984ea
Source of Spectrum ACI-53-SMS6-19b
Synonyms N-(2-((5S,6S)-5-((tert-butyldimethylsilyl)oxy)-6-(5-formyl-2-(methoxymethoxy)phenoxy)cyclohex-1-en-1-yl)ethyl)-N,4-dimethylbenzenesulfonamide
Wiley ID 1782287