(5RS,5aRS,11aSR,11bSR)-5-Tosyloxydecahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one

SpectraBase Compound ID	BH7Fb2zOjaJ
InChI	InChI=1S/C18H23NO6S/c1-12-5-7-13(8-6-12)26(21,22)25-15-9-11-23-18(20)16-14-4-2-3-10-19(14)24-17(15)16/h5-8,14-17H,2-4,9-11H2,1H3/t14-,15+,16+,17-/m0/s1
InChIKey	JSNNIABJBPGMKK-HZMVEIRTSA-N Google Search
Mol Weight	381.44 g/mol
Molecular Formula	C18H23NO6S
Exact Mass	381.124609 g/mol

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SpectraBase Spectrum ID	BSRPIOVVqa4
Name	(5RS,5aRS,11aSR,11bSR)-5-Tosyloxydecahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one
Alternate Name(s)	Toluene-4-sulfonic acid (4aS,4bR,9R,9aR)-5-oxo-decahydro-6,10-dioxa-10a-aza-benzo[a]azulen-9-yl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H23NO6S
InChI	InChI=1S/C18H23NO6S/c1-12-5-7-13(8-6-12)26(21,22)25-15-9-11-23-18(20)16-14-4-2-3-10-19(14)24-17(15)16/h5-8,14-17H,2-4,9-11H2,1H3/t14-,15+,16+,17-/m0/s1
InChIKey	JSNNIABJBPGMKK-HZMVEIRTSA-N
Molecular Weight	381.443 g/mol
SMILES	[C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@@]([C@@]3(CCCCN3O2)[H])(C(=O)OCC1)[H])[H])[H]
SPLASH	splash10-05ne-9000000000-d2290e49fa3dc9784f4c
Source of Spectrum	F-53-16812-12
Wiley ID	804803