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(-)-3-Deoxy-1,2:5,6-di-O-cyclohexylidene-.alpha.,D-glucofuranose-3-yl benzoate
SpectraBase Compound ID 5uXfD4WXRKp
InChI InChI=1S/C25H32O7/c26-22(17-10-4-1-5-11-17)28-20-19(18-16-27-24(30-18)12-6-2-7-13-24)29-23-21(20)31-25(32-23)14-8-3-9-15-25/h1,4-5,10-11,18-21,23H,2-3,6-9,12-16H2/t18-,19-,20-,21-,23-/m1/s1
InChIKey DNPZOTRCZLEXQU-XARADAHVSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyB28IbpAbj
Name (-)-3-Deoxy-1,2:5,6-di-O-cyclohexylidene-.alpha.,D-glucofuranose-3-yl benzoate
Alternate Name(s) (3'aR,5'R,6'R,6'aR)-5'-[(2R)-1,4-dioxaspiro[4.5]decan-2-yl]-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxole]-6'-yl benzoate
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Formula C25H32O7
InChI InChI=1S/C25H32O7/c26-22(17-10-4-1-5-11-17)28-20-19(18-16-27-24(30-18)12-6-2-7-13-24)29-23-21(20)31-25(32-23)14-8-3-9-15-25/h1,4-5,10-11,18-21,23H,2-3,6-9,12-16H2/t18-,19-,20-,21-,23-/m1/s1
InChIKey DNPZOTRCZLEXQU-XARADAHVSA-N
Molecular Weight 444.524 g/mol
SMILES [C@]12([C@@]([C@@]([C@@]3(OC4(CCCCC4)OC3)[H])(O[C@@]1(OC1(O2)CCCCC1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0902100000-9c7a35c87d4f3bef1027
Source of Spectrum KC-0-746-5
Wiley ID 830628