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Methyl (3S)-3-[4(R)-2,2-Dimethyl[1,3]dioxolan-4-yl]-3-[(1(S)-(hydroxymethyl)-3-(tolyl-4-sulfonyl)pyopoxy]propionate
SpectraBase Compound ID 4ve757QEy0E
InChI InChI=1S/C20H30O8S/c1-14-5-7-16(8-6-14)29(23,24)10-9-15(12-21)27-17(11-19(22)25-4)18-13-26-20(2,3)28-18/h5-8,15,17-18,21H,9-13H2,1-4H3/t15-,17-,18+/m0/s1
InChIKey FLWUNYIJDLGUIY-RYQLBKOJSA-N
Mol Weight 430.51 g/mol
Molecular Formula C20H30O8S
Exact Mass 430.166139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SgQVq2uLwi
Name Methyl (3S)-3-[4(R)-2,2-Dimethyl[1,3]dioxolan-4-yl]-3-[(1(S)-(hydroxymethyl)-3-(tolyl-4-sulfonyl)pyopoxy]propionate
Alternate Name(s) methyl 2-deoxy-3-O-{(1S)-1-(hydroxymethyl)-3-[(4-methylphenyl)sulfonyl]propyl}-4,5-O-(1-methylethylidene)-D-erythro-pentonate (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2S)-1-hydroxy-4-(4-methylphenyl)sulfonylbutan-2-yl]oxypropanoic acid methyl ester methyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2S)-1-hydroxy-4-(4-methylphenyl)sulfonylbutan-2-yl]oxypropanoate methyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1S)-1-(hydroxymethyl)-3-(p-tolylsulfonyl)propoxy]propanoate methyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2S)-4-(4-methylphenyl)sulfonyl-1-oxidanyl-butan-2-yl]oxy-propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H30O8S
InChI InChI=1S/C20H30O8S/c1-14-5-7-16(8-6-14)29(23,24)10-9-15(12-21)27-17(11-19(22)25-4)18-13-26-20(2,3)28-18/h5-8,15,17-18,21H,9-13H2,1-4H3/t15-,17-,18+/m0/s1
InChIKey FLWUNYIJDLGUIY-RYQLBKOJSA-N
Molecular Weight 430.512 g/mol
SMILES OC[C@@](O[C@]([C@@]1(OC(C)(C)OC1)[H])(CC(=O)OC)[H])(CCS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-00lr-0009500000-b7278cde36c05d0af324
Source of Spectrum J-63-9734-14
Wiley ID 1381414