(3RS,4SR,5SR)-5-Acetoxy-4-hydroxy-3-[(2RS)-N-tosylpiperidin-2-yl]oxpan-2-one

SpectraBase Compound ID	GZ9srtSoxPQ
InChI	InChI=1S/C20H27NO7S/c1-13-6-8-15(9-7-13)29(25,26)21-11-4-3-5-16(21)18-19(23)17(28-14(2)22)10-12-27-20(18)24/h6-9,16-19,23H,3-5,10-12H2,1-2H3/t16-,17+,18-,19-/m1/s1
InChIKey	SVFWVAFDQFATKE-FCGDIQPGSA-N Google Search
Mol Weight	425.5 g/mol
Molecular Formula	C20H27NO7S
Exact Mass	425.150823 g/mol

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SpectraBase Spectrum ID	EEBfdIu2Cjh
Name	(3RS,4SR,5SR)-5-Acetoxy-4-hydroxy-3-[(2RS)-N-tosylpiperidin-2-yl]oxpan-2-one
Alternate Name(s)	Acetic acid [(4S,5S,6R)-5-hydroxy-6-[(2R)-1-(4-methylphenyl)sulfonyl-2-piperidinyl]-7-oxo-4-oxepanyl] ester [(4S,5S,6R)-5-hydroxy-6-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-7-oxooxepan-4-yl] acetate [(4S,5S,6R)-5-hydroxy-7-oxo-6-[(2R)-1-(p-tolylsulfonyl)-2-piperidyl]oxepan-4-yl] acetate [(4S,5S,6R)-6-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-oxidanyl-7-oxidanylidene-oxepan-4-yl] ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H27NO7S
InChI	InChI=1S/C20H27NO7S/c1-13-6-8-15(9-7-13)29(25,26)21-11-4-3-5-16(21)18-19(23)17(28-14(2)22)10-12-27-20(18)24/h6-9,16-19,23H,3-5,10-12H2,1-2H3/t16-,17+,18-,19-/m1/s1
InChIKey	SVFWVAFDQFATKE-FCGDIQPGSA-N
Molecular Weight	425.496 g/mol
SMILES	O[C@]1([C@@]([C@@]2(N(S(c3ccc(cc3)C)(=O)=O)CCCC2)[H])(C(OCC[C@@]1(OC(=O)C)[H])=O)[H])[H]
SPLASH	splash10-052f-9200000000-d04593e575519c56278c
Source of Spectrum	K1-2004-4224-22
Wiley ID	1561692