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(1S,2S,3R)-3-(Benzyloxymethyl)-1-[5-methyl-(1S)-hydroxyhexyl]-2-(tosyloxymethyl)cyclopentane
SpectraBase Compound ID 2u9DT9WlfMl
InChI InChI=1S/C28H40O5S/c1-21(2)8-7-11-28(29)26-17-14-24(19-32-18-23-9-5-4-6-10-23)27(26)20-33-34(30,31)25-15-12-22(3)13-16-25/h4-6,9-10,12-13,15-16,21,24,26-29H,7-8,11,14,17-20H2,1-3H3/t24-,26-,27-,28-/m0/s1
InChIKey NGKBMWKIBBHPSY-VNNZRSTGSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H40O5S
Exact Mass 488.259646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dm12SKxSGk
Name (1S,2S,3R)-3-(Benzyloxymethyl)-1-[5-methyl-(1S)-hydroxyhexyl]-2-(tosyloxymethyl)cyclopentane
Alternate Name(s) (1S,2R,3R)-3-(Benzyloxymethyl)-1-[5-methyl-(1S)-hydroxyhexyl]-2-(tosyloxymethyl)cyclopentane [(1S,2R,5S)-2-[(benzyloxy)methyl]-5-(1-hydroxy-5-methylhexyl)cyclopentyl]methyl 4-methylbenzenesulfonate
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Formula C28H40O5S
InChI InChI=1S/C28H40O5S/c1-21(2)8-7-11-28(29)26-17-14-24(19-32-18-23-9-5-4-6-10-23)27(26)20-33-34(30,31)25-15-12-22(3)13-16-25/h4-6,9-10,12-13,15-16,21,24,26-29H,7-8,11,14,17-20H2,1-3H3/t24-,26-,27-,28-/m0/s1
InChIKey NGKBMWKIBBHPSY-VNNZRSTGSA-N
Molecular Weight 488.683 g/mol
SMILES O[C@]([C@@]1([C@@](COS(c2ccc(cc2)C)(=O)=O)([C@@](CC1)(COCc1ccccc1)[H])[H])[H])(CCCC(C)C)[H]
SPLASH splash10-0006-9520000000-757aa47edb634a5c7878
Source of Spectrum F-51-4504-16
Wiley ID 791847