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(R)-6-Methyl-2-((R)-7a-methyl-5-oxo -4-phenylsulfanyl-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl)-hept-6-enethioic acid S-tert-butyl ester

View entire compound with spectra: 1 MS (GC)

(R)-6-Methyl-2-((R)-7a-methyl-5-oxo -4-phenylsulfanyl-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl)-hept-6-enethioic acid S-tert-butyl ester
SpectraBase Compound ID IESSNNO65z3
InChI InChI=1S/C28H38O2S2/c1-19(2)11-10-14-21(26(30)32-27(3,4)5)22-15-16-23-25(24(29)17-18-28(22,23)6)31-20-12-8-7-9-13-20/h7-9,12-13,21-22H,1,10-11,14-18H2,2-6H3/t21-,22?,28-/m1/s1
InChIKey ZKWRENFCNKZOTI-SUNKILADSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H38O2S2
Exact Mass 470.231323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTtKnoGsJwB
Name (R)-6-Methyl-2-((R)-7a-methyl-5-oxo -4-phenylsulfanyl-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl)-hept-6-enethioic acid S-tert-butyl ester
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Formula C28H38O2S2
InChI InChI=1S/C28H38O2S2/c1-19(2)11-10-14-21(26(30)32-27(3,4)5)22-15-16-23-25(24(29)17-18-28(22,23)6)31-20-12-8-7-9-13-20/h7-9,12-13,21-22H,1,10-11,14-18H2,2-6H3/t21-,22?,28-/m1/s1
InChIKey ZKWRENFCNKZOTI-SUNKILADSA-N
Molecular Weight 470.730 g/mol
SMILES C=12[C@@](C([C@](C(SC(C)(C)C)=O)(CCCC(=C)C)[H])CC2)(CCC(C1Sc1ccccc1)=O)C
SPLASH splash10-05fs-7342900000-8edede182e9f25de873a
Source of Spectrum U1-2002-2733-25
Synonyms S-(tert-butyl) (2R)-2-[(7aR)-7a-methyl-5-oxo-4-(phenylsulfanyl)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]-6-methyl-6-heptenethioate S-tert-Butyl rac-(2R*)-6-methyl-2-{(1R*,7aR*)-7a-methyl-5-oxo-4-(phenylthio)-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl]hept-6-enethioate
Wiley ID 1522874