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4-.alpha.-(Methoxycarbonyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
SpectraBase Compound ID IOLz1dzWLuJ
InChI InChI=1S/C24H32O4S/c1-22(2,3)28-20(25)14-24-15-23(4,5)13-18(24)19(12-17(24)21(26)27-6)29-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-,24+/m1/s1
InChIKey BROGFVYIVDZYDK-OSPHWJPCSA-N
Mol Weight 416.6 g/mol
Molecular Formula C24H32O4S
Exact Mass 416.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TSr4ocRdbv
Name 4-.alpha.-(Methoxycarbonyl)-5-.beta.-[(t-butoxycarbonyl)methyl]-7,7-dimethyl-2-(phenylthio)bicyclo[3.3.0]oct-1-ene
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Formula C24H32O4S
InChI InChI=1S/C24H32O4S/c1-22(2,3)28-20(25)14-24-15-23(4,5)13-18(24)19(12-17(24)21(26)27-6)29-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-,24+/m1/s1
InChIKey BROGFVYIVDZYDK-OSPHWJPCSA-N
Molecular Weight 416.576 g/mol
SMILES [C@]12(C(=C(Sc3ccccc3)C[C@@]1(C(=O)OC)[H])CC(C2)(C)C)CC(OC(C)(C)C)=O
SPLASH splash10-0pb9-9104000000-b0f62dc13d06c6dbce18
Source of Spectrum D9-7-58-27
Synonyms Methyl (1S,6aR)-6a-(2-tert-butoxy-2-oxoethyl)-5,5-dimethyl-3-(phenylsulfanyl)-1,2,4,5,6,6a-hexahydro-1-pentalenecarboxylate
Wiley ID 1546245