(E)-3-[[(2R,3R)-5-acetyl-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiin-3-yl]methylsulfanyl]-4-hydroxy-pent-3-en-2-one

SpectraBase Compound ID	449HngnjncN
InChI	InChI=1S/C15H22O5S2/c1-6-19-15-12(7-21-13(8(2)16)9(3)17)22-14(10(4)18)11(5)20-15/h12,15-16H,6-7H2,1-5H3/b13-8+/t12-,15+/m0/s1
InChIKey	GXTZLKKUSYAIPZ-SFPHSEHVSA-N Google Search
Mol Weight	346.46 g/mol
Molecular Formula	C15H22O5S2
Exact Mass	346.090866 g/mol

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SpectraBase Spectrum ID	BQWOZX46Of5
Name	(E)-3-[[(2R,3R)-5-acetyl-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiin-3-yl]methylsulfanyl]-4-hydroxy-pent-3-en-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H22O5S2
InChI	InChI=1S/C15H22O5S2/c1-6-19-15-12(7-21-13(8(2)16)9(3)17)22-14(10(4)18)11(5)20-15/h12,15-16H,6-7H2,1-5H3/b13-8+/t12-,15+/m0/s1
InChIKey	GXTZLKKUSYAIPZ-SFPHSEHVSA-N
Molecular Weight	346.456 g/mol
SMILES	O\C(=C/(SC[C@@]1(SC(=C(O[C@]1(OCC)[H])C)C(=O)C)[H])C(=O)C)C
SPLASH	splash10-004i-0900000000-8d23596f86663764a08c
Source of Spectrum	U1-1999-3378-9
Synonyms	(E)-3-[[(2R,3R)-5-acetyl-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiin-3-yl]methylthio]-4-hydroxy-3-penten-2-one (E)-3-[[(2R,3R)-5-acetyl-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiin-3-yl]methylthio]-4-hydroxy-pent-3-en-2-one (E)-3-[[(2R,3R)-5-ethanoyl-2-ethoxy-6-methyl-2,3-dihydro-1,4-oxathiin-3-yl]methylsulfanyl]-4-oxidanyl-pent-3-en-2-one
Wiley ID	753482