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(2R,3S,4R,5R)-5-O-Allyl-3-O-benzyl-2,4-dimethoxy-5-C-phenyl pentanal 1,3-propanedithiol acetal
SpectraBase Compound ID CsMQZe47Dx1
InChI InChI=1S/C26H34O4S2/c1-4-16-29-22(21-14-9-6-10-15-21)23(27-2)24(30-19-20-12-7-5-8-13-20)25(28-3)26-31-17-11-18-32-26/h4-10,12-15,22-26H,1,11,16-19H2,2-3H3/t22-,23-,24+,25-/m1/s1
InChIKey AIYLCJWQZRJFBB-ZKGSSEMHSA-N
Mol Weight 474.7 g/mol
Molecular Formula C26H34O4S2
Exact Mass 474.189852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKl3meM7pM0
Name (2R,3S,4R,5R)-5-O-Allyl-3-O-benzyl-2,4-dimethoxy-5-C-phenyl pentanal 1,3-propanedithiol acetal
Alternate Name(s) 2-((1R,2S,3R,4R)-4-(allyloxy)-2-(benzyloxy)-1,3-dimethoxy-4-phenylbutyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O4S2
InChI InChI=1S/C26H34O4S2/c1-4-16-29-22(21-14-9-6-10-15-21)23(27-2)24(30-19-20-12-7-5-8-13-20)25(28-3)26-31-17-11-18-32-26/h4-10,12-15,22-26H,1,11,16-19H2,2-3H3/t22-,23-,24+,25-/m1/s1
InChIKey AIYLCJWQZRJFBB-ZKGSSEMHSA-N
Literature Reference DOI 10.1002/cjoc.20000180324
Molecular Weight 474.674 g/mol
SMILES c1([C@]([C@]([C@@]([C@](C2SCCCS2)(OC)[H])(OCc2ccccc2)[H])(OC)[H])(OCC=C)[H])ccccc1
SPLASH splash10-0udl-8390100000-4cbfb9c8bec2eee336b6
Source of Spectrum CJC-18-391-6
Wiley ID 1773477