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(3S,5S)-5-benzoxy-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-enanthic acid methyl ester
SpectraBase Compound ID FfK79yakHYD
InChI InChI=1S/C19H28O4S2/c1-19(2,18-24-9-10-25-18)16(11-15(20)12-17(21)22-3)23-13-14-7-5-4-6-8-14/h4-8,15-16,18,20H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKey XUHWAIHQSXPVQI-HOTGVXAUSA-N
Mol Weight 384.55 g/mol
Molecular Formula C19H28O4S2
Exact Mass 384.142902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bo5AusuzbXH
Name (3S,5S)-5-benzoxy-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-enanthic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4S2
InChI InChI=1S/C19H28O4S2/c1-19(2,18-24-9-10-25-18)16(11-15(20)12-17(21)22-3)23-13-14-7-5-4-6-8-14/h4-8,15-16,18,20H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKey XUHWAIHQSXPVQI-HOTGVXAUSA-N
Molecular Weight 384.549 g/mol
SMILES O[C@](CC(=O)OC)(C[C@@](C(C1SCCS1)(C)C)(OCc1ccccc1)[H])[H]
SPLASH splash10-052f-6910000000-3df553ffac19f4dc98a6
Source of Spectrum QC-8-3918-6
Synonyms (3S,5S)-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoic acid methyl ester Methyl (3S,5S)-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoate Methyl (3S,5S)-6-(1,3-dithiolan-2-yl)-6-methyl-3-oxidanyl-5-phenylmethoxy-heptanoate
Wiley ID 870281