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2-[(2R,3R,4S)-2-[(E)-4-(2-oxanyloxy)but-2-enyl]-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
SpectraBase Compound ID c4Tg5Or9KL
InChI InChI=1S/C22H28O6S/c1-25-19(23)15-17-18(11-5-7-13-26-20-12-6-8-14-27-20)28-22(24)21(17)29-16-9-3-2-4-10-16/h2-5,7,9-10,17-18,20-21H,6,8,11-15H2,1H3/b7-5+/t17-,18-,20?,21+/m1/s1
InChIKey GYQMCYWIQWQURB-YRNNDXNLSA-N
Mol Weight 420.52 g/mol
Molecular Formula C22H28O6S
Exact Mass 420.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLFyOFMUDGM
Name 2-[(2R,3R,4S)-2-[(E)-4-(2-oxanyloxy)but-2-enyl]-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6S
InChI InChI=1S/C22H28O6S/c1-25-19(23)15-17-18(11-5-7-13-26-20-12-6-8-14-27-20)28-22(24)21(17)29-16-9-3-2-4-10-16/h2-5,7,9-10,17-18,20-21H,6,8,11-15H2,1H3/b7-5+/t17-,18-,20?,21+/m1/s1
InChIKey GYQMCYWIQWQURB-YRNNDXNLSA-N
Molecular Weight 420.520 g/mol
SMILES C1([C@]([C@](CC(=O)OC)([C@](O1)(C\C=C\COC1OCCCC1)[H])[H])(Sc1ccccc1)[H])=O
SPLASH splash10-000i-9226000000-ae5bd6b50111cd54cbb8
Source of Spectrum J-59-4471-39
Synonyms 2-[(2R,3R,4S)-5-keto-4-(phenylthio)-2-[(E)-4-tetrahydropyran-2-yloxybut-2-enyl]tetrahydrofuran-3-yl]acetic acid methyl ester Methyl 2-[(2R,3R,4S)-2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Methyl 2-[(2R,3R,4S)-2-[(E)-4-(oxan-2-yloxy)but-2-enyl]-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Methyl 2-[(2R,3R,4S)-5-oxo-4-phenylsulfanyl-2-[(E)-4-tetrahydropyran-2-yloxybut-2-enyl]tetrahydrofuran-3-yl]acetate
Wiley ID 1377903