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(1S,1'R/S)-4-O-Formyl-1,2-O-isopropylidene-3,5-di-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-arabiniitol
SpectraBase Compound ID HXvfUCA9zTt
InChI InChI=1S/C17H28O7/c1-17(2)23-14(11-7-5-6-8-12(11)19)16(24-17)15(21-4)13(9-20-3)22-10-18/h10-11,13-16H,5-9H2,1-4H3/t11?,13-,14+,15-,16+/m1/s1
InChIKey JCWIXUOPVSOGDW-HJGRSGLPSA-N
Mol Weight 344.4 g/mol
Molecular Formula C17H28O7
Exact Mass 344.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OxalSiceUZ
Name (1S,1'R/S)-4-O-Formyl-1,2-O-isopropylidene-3,5-di-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-arabiniitol
Alternate Name(s) Formic acid (1R,2R)-2-[(4S,5S)-2,2-dimethyl-5-(2-oxo-cyclohexyl)-[1,3]dioxolan-4-yl]-2-methoxy-1-methoxymethyl-ethyl ester
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Formula C17H28O7
InChI InChI=1S/C17H28O7/c1-17(2)23-14(11-7-5-6-8-12(11)19)16(24-17)15(21-4)13(9-20-3)22-10-18/h10-11,13-16H,5-9H2,1-4H3/t11?,13-,14+,15-,16+/m1/s1
InChIKey JCWIXUOPVSOGDW-HJGRSGLPSA-N
Molecular Weight 344.404 g/mol
SMILES [C@@]1([C@@](OC(O1)(C)C)(C1C(=O)CCCC1)[H])([C@@]([C@](OC=O)(COC)[H])(OC)[H])[H]
SPLASH splash10-052s-6940000000-0d586c2e0bbcc32c022f
Source of Spectrum J-73-5294-48
Wiley ID 1668419