(2S,3S,4S)-6-Benzo[1,3]dioxol-5-yl-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol

SpectraBase Compound ID	CPecj4HNhrg
InChI	InChI=1S/C21H26O4S/c1-15(13-22)20(23)21(2,26-17-6-4-3-5-7-17)11-10-16-8-9-18-19(12-16)25-14-24-18/h3-9,12,15,20,22-23H,10-11,13-14H2,1-2H3/t15-,20-,21-/m0/s1
InChIKey	MKLMQLFZMYFMOI-JHVJFLLYSA-N Google Search
Mol Weight	374.5 g/mol
Molecular Formula	C21H26O4S
Exact Mass	374.15518 g/mol

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SpectraBase Spectrum ID	9oMaMrR6HA7
Name	(2S,3S,4S)-6-Benzo[1,3]dioxol-5-yl-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26O4S
InChI	InChI=1S/C21H26O4S/c1-15(13-22)20(23)21(2,26-17-6-4-3-5-7-17)11-10-16-8-9-18-19(12-16)25-14-24-18/h3-9,12,15,20,22-23H,10-11,13-14H2,1-2H3/t15-,20-,21-/m0/s1
InChIKey	MKLMQLFZMYFMOI-JHVJFLLYSA-N
Molecular Weight	374.495 g/mol
SMILES	OC[C@@]([C@@]([C@@](Sc1ccccc1)(CCc1cc2OCOc2cc1)C)(O)[H])(C)[H]
SPLASH	splash10-000i-0900000000-a68a71fad31ea9a72a4f
Source of Spectrum	KC-0-542-41
Synonyms	4-C-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dideoxy-2-methyl-4-S-phenyl-4-thio-D-ribitol syn,anti-(2RS,3RS,4RS)-2,4-Dimethylphenyl 6-(3,4-dimethylenedioxyphenyl)-4-phenylsulfanylhexane-1,3-diol (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanylhexane-1,3-diol (2S,3S,4S)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol
Wiley ID	830016