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Benzyl 2-[(2R)-Benzyloxy]-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)tetrahydrofuran-3-yl]acetate
SpectraBase Compound ID 48HEYofnDWN
InChI InChI=1S/C35H42O5S/c1-3-4-5-6-7-17-24-30-31(35(2,34(37)40-30)41-29-22-15-10-16-23-29)32(38-25-27-18-11-8-12-19-27)33(36)39-26-28-20-13-9-14-21-28/h8-16,18-23,30-32H,3-7,17,24-26H2,1-2H3/t30-,31-,32+,35-/m0/s1
InChIKey MATBRQYNFVFHDF-XREYCITQSA-N
Mol Weight 574.8 g/mol
Molecular Formula C35H42O5S
Exact Mass 574.275296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRM2rhr5SfP
Name Benzyl 2-[(2R)-Benzyloxy]-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)tetrahydrofuran-3-yl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42O5S
InChI InChI=1S/C35H42O5S/c1-3-4-5-6-7-17-24-30-31(35(2,34(37)40-30)41-29-22-15-10-16-23-29)32(38-25-27-18-11-8-12-19-27)33(36)39-26-28-20-13-9-14-21-28/h8-16,18-23,30-32H,3-7,17,24-26H2,1-2H3/t30-,31-,32+,35-/m0/s1
InChIKey MATBRQYNFVFHDF-XREYCITQSA-N
Molecular Weight 574.776 g/mol
SMILES [C@]1([C@@]([C@](CCCCCCCC)(OC1=O)[H])([C@](C(OCc1ccccc1)=O)(OCc1ccccc1)[H])[H])(Sc1ccccc1)C
SPLASH splash10-0006-9100000000-1802c375833da318effd
Source of Spectrum J-61-8451-17
Synonyms benzyl (2R)-(benzyloxy)[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylsulfanyl)tetrahydro-3-furanyl]ethanoate
Wiley ID 1408085