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(2S,3R,4R,5R.6R)-5-[(tert-Butyldimethylsilyl)oxy]-6-chloro-2,3,4-tri(benzyloxy)-cycloheptane-1-one
SpectraBase Compound ID Gp3IqtNA6xB
InChI InChI=1S/C34H43ClO5Si/c1-34(2,3)41(4,5)40-30-28(35)21-29(36)31(37-22-25-15-9-6-10-16-25)33(39-24-27-19-13-8-14-20-27)32(30)38-23-26-17-11-7-12-18-26/h6-20,28,30-33H,21-24H2,1-5H3/t28-,30+,31-,32+,33+/m1/s1
InChIKey BZRFSSNNYIBPOP-AGLXMARUSA-N
Mol Weight 595.3 g/mol
Molecular Formula C34H43ClO5Si
Exact Mass 594.256829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CRbxuLobzS
Name (2S,3R,4R,5R.6R)-5-[(tert-Butyldimethylsilyl)oxy]-6-chloro-2,3,4-tri(benzyloxy)-cycloheptane-1-one
Alternate Name(s) (2S,3R,4R,5R,6R)-2,3,4-tris(benzyloxy)-5-{[tert-butyl(dimethyl)silyl]oxy}-6-chlorocycloheptanone (2S,3R,4R,5R.6R)-5-[(tert-Butyldimethylsilyl)oxy]-6-chloro-2,3,4-tri(benzyloxy)-1-trimethylsilyloxycycloheptane-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C34H43ClO5Si
InChI InChI=1S/C34H43ClO5Si/c1-34(2,3)41(4,5)40-30-28(35)21-29(36)31(37-22-25-15-9-6-10-16-25)33(39-24-27-19-13-8-14-20-27)32(30)38-23-26-17-11-7-12-18-26/h6-20,28,30-33H,21-24H2,1-5H3/t28-,30+,31-,32+,33+/m1/s1
InChIKey BZRFSSNNYIBPOP-AGLXMARUSA-N
Molecular Weight 595.251 g/mol
SMILES [C@@]1([C@@]([C@]([C@](OCc2ccccc2)(C(C[C@]1(Cl)[H])=O)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0a4i-0000090000-3f1fb2bcc1c02ee32724
Source of Spectrum F-50-10451-13
Wiley ID 789197