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(2R,3S,4R)-4-methyl-5-oxidanylidene-4-phenylsulfanyl-2-tridecyl-oxolane-3-carboxylic acid
SpectraBase Compound ID 91eFzxPwMYM
InChI InChI=1S/C25H38O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-21-22(23(26)27)25(2,24(28)29-21)30-20-17-14-13-15-18-20/h13-15,17-18,21-22H,3-12,16,19H2,1-2H3,(H,26,27)/t21-,22+,25-/m1/s1
InChIKey RCHITQDQGQPTCI-OTNCWRBYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O4S
Exact Mass 434.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4F8vdwA66R8
Name (2R,3S,4R)-4-methyl-5-oxidanylidene-4-phenylsulfanyl-2-tridecyl-oxolane-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O4S
InChI InChI=1S/C25H38O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-21-22(23(26)27)25(2,24(28)29-21)30-20-17-14-13-15-18-20/h13-15,17-18,21-22H,3-12,16,19H2,1-2H3,(H,26,27)/t21-,22+,25-/m1/s1
InChIKey RCHITQDQGQPTCI-OTNCWRBYSA-N
Molecular Weight 434.635 g/mol
SMILES OC([C@]1([C@](C(O[C@@]1(CCCCCCCCCCCCC)[H])=O)(Sc1ccccc1)C)[H])=O
SPLASH splash10-08fr-7390500000-e69cc000aa6b2babf705
Source of Spectrum J-61-6451-8
Synonyms (2R,3S,4R)-4-methyl-5-oxo-4-(phenylthio)-2-tridecyl-3-oxolanecarboxylic acid (2R,3S,4R)-4-methyl-5-oxo-4-phenylsulfanyl-2-tridecyl-tetrahydrofuran-3-carboxylic acid (2R,3S,4R)-4-methyl-5-oxo-4-phenylsulfanyl-2-tridecyloxolane-3-carboxylic acid (2R,3S,4R)-5-keto-4-methyl-4-(phenylthio)-2-tridecyl-tetrahydrofuran-3-carboxylic acid
Wiley ID 1382996