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S-tert-Butyl rac-(2R*)-6-methyl-2-{(1R*,2R*)-2-methyl-3-oxo-2-[3-oxo-4-(phenylthio)butyl]cyclopentyl}hept-6-enethioate
SpectraBase Compound ID 4DIRELQXepJ
InChI InChI=1S/C28H40O3S2/c1-20(2)11-10-14-23(26(31)33-27(3,4)5)24-15-16-25(30)28(24,6)18-17-21(29)19-32-22-12-8-7-9-13-22/h7-9,12-13,23-24H,1,10-11,14-19H2,2-6H3/t23-,24-,28-/m1/s1
InChIKey XUVMSCJUUZMXMP-PRVBGKCFSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H40O3S2
Exact Mass 488.241887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nUHQCtLuK
Name S-tert-Butyl rac-(2R*)-6-methyl-2-{(1R*,2R*)-2-methyl-3-oxo-2-[3-oxo-4-(phenylthio)butyl]cyclopentyl}hept-6-enethioate
Alternate Name(s) S-(tert-butyl) (2R)-6-methyl-2-{(1R,2R)-2-methyl-3-oxo-2-[3-oxo-4-(phenylsulfanyl)butyl]cyclopentyl}-6-heptenethioate (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-[3-oxo-4-(phenylthio)butyl]cyclopentyl]-6-heptenethioic acid S-tert-butyl ester S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-(3-oxo-4-phenylsulfanylbutyl)cyclopentyl]hept-6-enethioate S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxo-2-(3-oxo-4-phenylsulfanyl-butyl)cyclopentyl]hept-6-enethioate S-tert-butyl (2R)-6-methyl-2-[(1R,2R)-2-methyl-3-oxidanylidene-2-(3-oxidanylidene-4-phenylsulfanyl-butyl)cyclopentyl]hept-6-enethioate
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Formula C28H40O3S2
InChI InChI=1S/C28H40O3S2/c1-20(2)11-10-14-23(26(31)33-27(3,4)5)24-15-16-25(30)28(24,6)18-17-21(29)19-32-22-12-8-7-9-13-22/h7-9,12-13,23-24H,1,10-11,14-19H2,2-6H3/t23-,24-,28-/m1/s1
InChIKey XUVMSCJUUZMXMP-PRVBGKCFSA-N
Molecular Weight 488.745 g/mol
SMILES [C@@]1([C@@]([C@](C(SC(C)(C)C)=O)(CCCC(=C)C)[H])(CCC1=O)[H])(CCC(=O)CSc1ccccc1)C
SPLASH splash10-05bs-4932400000-7e00e2f482092da8a5fa
Source of Spectrum U1-2002-2733-24
Wiley ID 1522875