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(3R,4S,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-(phenylthio)-5-tridecyldihydrofuran-2-one
SpectraBase Compound ID 2cNDmCyDltU
InChI InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-23-24(22(28)20-27)26(2,25(29)30-23)31-21-17-14-13-15-18-21/h13-15,17-18,22-24,27-28H,3-12,16,19-20H2,1-2H3/t22-,23-,24-,26-/m1/s1
InChIKey IVUYBUBQHNPZJW-PMHJDTQVSA-N
Mol Weight 450.7 g/mol
Molecular Formula C26H42O4S
Exact Mass 450.280381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56R9lUE0uW
Name (3R,4S,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-(phenylthio)-5-tridecyldihydrofuran-2-one
Alternate Name(s) (3R,4R,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-(phenylthio)-5-tridecyldihydrofuran-2-one (3R,4S,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-(phenylsulfanyl)-5-tridecyldihydro-2(3H)-furanone (3R,4R,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-(phenylthio)-5-tridecyl-2-oxolanone (3R,4R,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-phenylsulfanyl-5-tridecyloxolan-2-one (3R,4R,5R)-4-[(1S)-1,2-dihydroxyethyl]-3-methyl-3-phenylsulfanyl-5-tridecyl-tetrahydrofuran-2-one (3R,4R,5R)-4-[(1S)-1,2-bis(oxidanyl)ethyl]-3-methyl-3-phenylsulfanyl-5-tridecyl-oxolan-2-one
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Formula C26H42O4S
InChI InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-16-19-23-24(22(28)20-27)26(2,25(29)30-23)31-21-17-14-13-15-18-21/h13-15,17-18,22-24,27-28H,3-12,16,19-20H2,1-2H3/t22-,23-,24-,26-/m1/s1
InChIKey IVUYBUBQHNPZJW-PMHJDTQVSA-N
Molecular Weight 450.678 g/mol
SMILES O[C@](CO)([C@]1([C@](C(O[C@@]1(CCCCCCCCCCCCC)[H])=O)(Sc1ccccc1)C)[H])[H]
SPLASH splash10-03l0-2749300000-995a0b217e8a7e201ffd
Source of Spectrum J-61-6451-6
Wiley ID 1387783