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(3S,4R,5R)-5-{(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one
SpectraBase Compound ID BmAbNruB1sA
InChI InChI=1S/C21H30O3S/c1-13(2)17-11-10-14(3)12-18(17)23-21-19(15(4)20(22)24-21)25-16-8-6-5-7-9-16/h5-9,13-15,17-19,21H,10-12H2,1-4H3/t14-,15-,17-,18-,19-,21-/m1/s1
InChIKey OJGBHGKXKZNBFW-GKYHAWLYSA-N
Mol Weight 362.53 g/mol
Molecular Formula C21H30O3S
Exact Mass 362.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l6E2T5zqPb
Name (3S,4R,5R)-5-{(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3S
InChI InChI=1S/C21H30O3S/c1-13(2)17-11-10-14(3)12-18(17)23-21-19(15(4)20(22)24-21)25-16-8-6-5-7-9-16/h5-9,13-15,17-19,21H,10-12H2,1-4H3/t14-,15-,17-,18-,19-,21-/m1/s1
InChIKey OJGBHGKXKZNBFW-GKYHAWLYSA-N
Molecular Weight 362.528 g/mol
SMILES [C@@]1(OC(=O)[C@@]([C@]1(Sc1ccccc1)[H])(C)[H])(O[C@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])[H]
SPLASH splash10-0udi-0901000000-c2bf1e0e65d8dacb228a
Source of Spectrum F-54-3424-9
Synonyms (3S,4R,5R)-5-{(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyloxy}-3-methyl-4-phenylsulfanyl-dihydrofuran-2-one (3S,4R,5R)-5-{[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-3-methyl-4-(phenylsulfanyl)dihydro-2(3H)-furanone
Wiley ID 806489