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

SpectraBase Compound ID	AnO4Tb9If0t
InChI	InChI=1S/C26H38O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-21-22-23(24(27)29-21)30-25(28)26(22,2)31-20-17-14-13-15-18-20/h13-15,17-18,21-23H,3-12,16,19H2,1-2H3/t21-,22+,23+,26-/m1/s1
InChIKey	JLSITWQFLVDDEF-QTZVNIFKSA-N Google Search
Mol Weight	446.6 g/mol
Molecular Formula	C26H38O4S
Exact Mass	446.249081 g/mol

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SpectraBase Spectrum ID	JRDO10k5IW
Name	(3R,3aS,4R,6aS)-3-methyl-3-(phenylthio)-4-tridecyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H38O4S
InChI	InChI=1S/C26H38O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-21-22-23(24(27)29-21)30-25(28)26(22,2)31-20-17-14-13-15-18-20/h13-15,17-18,21-23H,3-12,16,19H2,1-2H3/t21-,22+,23+,26-/m1/s1
InChIKey	JLSITWQFLVDDEF-QTZVNIFKSA-N
Molecular Weight	446.646 g/mol
SMILES	[C@@]1([C@@]2([C@](C(=O)O[C@@]2(CCCCCCCCCCCCC)[H])([H])OC1=O)[H])(Sc1ccccc1)C
SPLASH	splash10-0002-9500100000-24d9eee50ce2ba1792c7
Source of Spectrum	J-61-6451-7
Synonyms	(3R,3aS,4R,6aS)-3-methyl-3-(phenylthio)-4-tridecyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-quinone (3R,3aS,4R,6aS)-3-methyl-3-phenylsulfanyl-4-tridecyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2,6-dione
Wiley ID	1386694