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(5RS,6RS)-1-Methyl-3-oxa-5-tosyloxy-6-(1'-hydroxycinnamyl)-6-methoxy-2-piperidinone
SpectraBase Compound ID Crb4LEm9Q1i
InChI InChI=1S/C22H25NO7S/c1-16-9-11-18(12-10-16)31(26,27)30-20-15-29-21(25)23(2)22(20,28-3)14-13-19(24)17-7-5-4-6-8-17/h4-13,20,24H,14-15H2,1-3H3/b19-13-
InChIKey KKTKRZZCFABQAU-UYRXBGFRSA-N
Mol Weight 447.5 g/mol
Molecular Formula C22H25NO7S
Exact Mass 447.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRsQdISYn5J
Name (5RS,6RS)-1-Methyl-3-oxa-5-tosyloxy-6-(1'-hydroxycinnamyl)-6-methoxy-2-piperidinone
CAS Registry Number 73089-40-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO7S
InChI InChI=1S/C22H25NO7S/c1-16-9-11-18(12-10-16)31(26,27)30-20-15-29-21(25)23(2)22(20,28-3)14-13-19(24)17-7-5-4-6-8-17/h4-13,20,24H,14-15H2,1-3H3/b19-13-
InChIKey KKTKRZZCFABQAU-UYRXBGFRSA-N
Molecular Weight 447.502 g/mol
SMILES O\C(=C/CC1(N(C(OCC1OS(c1ccc(cc1)C)(=O)=O)=O)C)OC)c1ccccc1
SPLASH splash10-00dl-0890000000-241dcd5598c6076ce0bf
Source of Spectrum J-45-1453-0
Synonyms 4-[(2Z)-3-hydroxy-3-phenyl-2-propenyl]-4-methoxy-3-methyl-2-oxotetrahydro-2H-1,3-oxazin-5-yl 4-methylbenzenesulfonate
Wiley ID 1386902