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Ethyl (.alpha.(.xi.))-.alpha.-[(1.xi.,3S,5R)-3,5-Dimethyl-2-methylenecyclopentyl]-.alpha.-methyl-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
SpectraBase Compound ID La5mNo0TaxR
InChI InChI=1S/C24H29NO5S/c1-6-30-23(27)24(5,21-17(3)14-16(2)18(21)4)22(26)19-12-13-25(15-19)31(28,29)20-10-8-7-9-11-20/h7-13,15-17,21H,4,6,14H2,1-3,5H3/t16-,17+,21?,24?/m0/s1
InChIKey BPWKFNVCNSSXRZ-YPUCCUOXSA-N
Mol Weight 443.56 g/mol
Molecular Formula C24H29NO5S
Exact Mass 443.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yLuUQAG7vg
Name Ethyl (.alpha.(.xi.))-.alpha.-[(1.xi.,3S,5R)-3,5-Dimethyl-2-methylenecyclopentyl]-.alpha.-methyl-.beta.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-propanoate
Alternate Name(s) 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-[(3S,5R)-3,5-dimethyl-2-methylenecyclopentyl]-2-methyl-3-oxopropanoic acid ethyl ester Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-[(3S,5R)-3,5-dimethyl-2-methylidenecyclopentyl]-2-methyl-3-oxopropanoate Ethyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-[(3S,5R)-3,5-dimethyl-2-methylene-cyclopentyl]-2-methyl-3-oxo-propanoate Ethyl 2-[(3S,5R)-3,5-dimethyl-2-methylidene-cyclopentyl]-2-methyl-3-oxidanylidene-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate
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Formula C24H29NO5S
InChI InChI=1S/C24H29NO5S/c1-6-30-23(27)24(5,21-17(3)14-16(2)18(21)4)22(26)19-12-13-25(15-19)31(28,29)20-10-8-7-9-11-20/h7-13,15-17,21H,4,6,14H2,1-3,5H3/t16-,17+,21?,24?/m0/s1
InChIKey BPWKFNVCNSSXRZ-YPUCCUOXSA-N
Molecular Weight 443.558 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(C1C([C@@](C)(C[C@]1(C)[H])[H])=C)(C(=O)OCC)C)=O
SPLASH splash10-003r-6492000000-90ccc297da1c6140bba4
Source of Spectrum E1-42-860-25
Wiley ID 1552552