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(2S,4R)-1-{2'-[(3"S,4"R)-4"-Hydroxy-3",5"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol

View entire compound with spectra: 1 MS (GC)

(2S,4R)-1-{2'-[(3"S,4"R)-4"-Hydroxy-3",5"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol
SpectraBase Compound ID CV500TfNBQP
InChI InChI=1S/C19H36O3S2/c1-5-7-16(20)12-17(21)13-19(23-10-6-11-24-19)9-8-15(4)18(22)14(2)3/h5,14-18,20-22H,1,6-13H2,2-4H3/t15-,16+,17-,18+/m0/s1
InChIKey XOPBJLDSOOOLNP-XWTMOSNGSA-N
Mol Weight 376.6 g/mol
Molecular Formula C19H36O3S2
Exact Mass 376.210587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMKAOGmYacu
Name (2S,4R)-1-{2'-[(3"S,4"R)-4"-Hydroxy-3",5"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O3S2
InChI InChI=1S/C19H36O3S2/c1-5-7-16(20)12-17(21)13-19(23-10-6-11-24-19)9-8-15(4)18(22)14(2)3/h5,14-18,20-22H,1,6-13H2,2-4H3/t15-,16+,17-,18+/m0/s1
InChIKey XOPBJLDSOOOLNP-XWTMOSNGSA-N
Molecular Weight 376.614 g/mol
SMILES O[C@@](C[C@@](CC1(SCCCS1)CC[C@@]([C@@](C(C)C)(O)[H])(C)[H])(O)[H])(CC=C)[H]
SPLASH splash10-014i-0090000000-75bbece0719e4b2cb4ba
Source of Spectrum KC-1993-1518-73
Synonyms (2S,4R)-1-{2'-[(3''S,4''R)-4''-Hydroxy-3'',5''-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol (2S,4R)-1-{2-[(3S,4R)-4-hydroxy-3,5-dimethylhexyl]-1,3-dithian-2-yl}-6-heptene-2,4-diol
Wiley ID 778151