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Ethyl 5,6-Dideoxy-1,2-O-isopropylidene-8-C-methyl-3-O-(S-methylthiocarbonate)-.alpha.,D-xylo-nona-7-enofuranuronate
SpectraBase Compound ID KIKmD9uesU6
InChI InChI=1S/C17H26O6S2/c1-6-19-14(18)10(2)8-7-9-11-12(21-16(24)25-5)13-15(20-11)23-17(3,4)22-13/h8,11-13,15H,6-7,9H2,1-5H3/b10-8+/t11-,12+,13?,15?/m1/s1
InChIKey HOFSFOOEXXZKKB-GPYQCISXSA-N
Mol Weight 390.51 g/mol
Molecular Formula C17H26O6S2
Exact Mass 390.117081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29BFPPaZTbh
Name Ethyl 5,6-Dideoxy-1,2-O-isopropylidene-8-C-methyl-3-O-(S-methylthiocarbonate)-.alpha.,D-xylo-nona-7-enofuranuronate
Alternate Name(s) Ethyl (2E)-5-((5R,6S)-2,2-dimethyl-6-{[(methylsulfanyl)carbothioyl]oxy}tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-methyl-2-pentenoate
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Formula C17H26O6S2
InChI InChI=1S/C17H26O6S2/c1-6-19-14(18)10(2)8-7-9-11-12(21-16(24)25-5)13-15(20-11)23-17(3,4)22-13/h8,11-13,15H,6-7,9H2,1-5H3/b10-8+/t11-,12+,13?,15?/m1/s1
InChIKey HOFSFOOEXXZKKB-GPYQCISXSA-N
Molecular Weight 390.509 g/mol
SMILES C12C(OC(O2)(C)C)O[C@@]([C@@]1(OC(=S)SC)[H])(CC\C=C\(C(=O)OCC)C)[H]
SPLASH splash10-0006-9310000000-41aece09dc6d46c7c362
Source of Spectrum F-49-6686-5
Wiley ID 1364598