(1S,3aR,4R,6R,6aS)-3-keto-5-(4-methoxyphenyl)-1-(phenylthio)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	2aDxuCzLcEM
InChI	InChI=1S/C23H23NO7S/c1-28-14-11-9-13(10-12-14)24-18(21(26)29-2)16-17(19(24)22(27)30-3)23(31-20(16)25)32-15-7-5-4-6-8-15/h4-12,16-19,23H,1-3H3/t16-,17+,18-,19-,23+/m1/s1
InChIKey	LLXNGTCPEVSYOI-INSLWABXSA-N Google Search
Mol Weight	457.5 g/mol
Molecular Formula	C23H23NO7S
Exact Mass	457.119523 g/mol

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SpectraBase Spectrum ID	9TsI3rJ4N9m
Name	(1S,3aR,4R,6R,6aS)-3-keto-5-(4-methoxyphenyl)-1-(phenylthio)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester
Alternate Name(s)	(1S,3aR,4R,6R,6aS)-5-(4-methoxyphenyl)-3-oxo-1-(phenylthio)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester dimethyl (1S,3aR,4R,6R,6aS)-5-(4-methoxyphenyl)-3-oxidanylidene-1-phenylsulfanyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylate dimethyl (1S,3aR,4R,6R,6aS)-5-(4-methoxyphenyl)-3-oxo-1-phenylsulfanyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H23NO7S
InChI	InChI=1S/C23H23NO7S/c1-28-14-11-9-13(10-12-14)24-18(21(26)29-2)16-17(19(24)22(27)30-3)23(31-20(16)25)32-15-7-5-4-6-8-15/h4-12,16-19,23H,1-3H3/t16-,17+,18-,19-,23+/m1/s1
InChIKey	LLXNGTCPEVSYOI-INSLWABXSA-N
Molecular Weight	457.497 g/mol
SMILES	[C@@]12([C@@]([C@@](C(=O)OC)([H])N([C@]2(C(=O)OC)[H])c2ccc(cc2)OC)([C@@](Sc2ccccc2)([H])OC1=O)[H])[H]
SPLASH	splash10-052b-0009800000-13ff48faf49af9c36968
Source of Spectrum	H1-52-250-26
Wiley ID	817593