(3R,3aR,4S,6aR)-3-methyl-4-octyl-3-(phenylthio)-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione

SpectraBase Compound ID	5kvchglzFjZ
InChI	InChI=1S/C21H28O4S/c1-3-4-5-6-7-11-14-16-17-18(19(22)24-16)25-20(23)21(17,2)26-15-12-9-8-10-13-15/h8-10,12-13,16-18H,3-7,11,14H2,1-2H3/t16-,17+,18+,21+/m0/s1
InChIKey	GUTWJCRANMODNI-XKGFGPFHSA-N Google Search
Mol Weight	376.51 g/mol
Molecular Formula	C21H28O4S
Exact Mass	376.170831 g/mol

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SpectraBase Spectrum ID	IPFKjLeUjO0
Name	(3R,3aR,4S,6aR)-3-methyl-4-octyl-3-(phenylthio)-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O4S
InChI	InChI=1S/C21H28O4S/c1-3-4-5-6-7-11-14-16-17-18(19(22)24-16)25-20(23)21(17,2)26-15-12-9-8-10-13-15/h8-10,12-13,16-18H,3-7,11,14H2,1-2H3/t16-,17+,18+,21+/m0/s1
InChIKey	GUTWJCRANMODNI-XKGFGPFHSA-N
Molecular Weight	376.511 g/mol
SMILES	[C@@]1([C@]2([C@@](C(=O)O[C@]2(CCCCCCCC)[H])([H])OC1=O)[H])(Sc1ccccc1)C
SPLASH	splash10-0a4i-9000000000-1e1bedd086f5ea2af080
Source of Spectrum	J-61-8450-12
Synonyms	(3R,3aR,4S,6aR)-3-methyl-4-octyl-3-(phenylthio)-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-quinone (3R,3aR,4S,6aR)-3-methyl-4-octyl-3-phenylsulfanyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Wiley ID	1357742