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(1,2;5,6-Di-O-isopropylidene-.alpha.,D-glucofuranose-3-O-yl) 2-Methyl-5-phenylpent-2-enoate
SpectraBase Compound ID JBGEGEORsJ2
InChI InChI=1S/C24H32O7/c1-15(10-9-13-16-11-7-6-8-12-16)21(25)27-19-18(17-14-26-23(2,3)29-17)28-22-20(19)30-24(4,5)31-22/h6-8,10-12,17-20,22H,9,13-14H2,1-5H3/b15-10+/t17-,18-,19+,20-,22-/m1/s1
InChIKey JVIJLLPEOWROGA-XVFHSBKUSA-N
Mol Weight 432.5 g/mol
Molecular Formula C24H32O7
Exact Mass 432.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Kp6GsjQdxA
Name (1,2;5,6-Di-O-isopropylidene-.alpha.,D-glucofuranose-3-O-yl) 2-Methyl-5-phenylpent-2-enoate
Alternate Name(s) (E)-2-methyl-5-phenyl-2-pentenoic acid [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (E)-2-methyl-5-phenylpent-2-enoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (E)-2-methyl-5-phenyl-pent-2-enoate
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Formula C24H32O7
InChI InChI=1S/C24H32O7/c1-15(10-9-13-16-11-7-6-8-12-16)21(25)27-19-18(17-14-26-23(2,3)29-17)28-22-20(19)30-24(4,5)31-22/h6-8,10-12,17-20,22H,9,13-14H2,1-5H3/b15-10+/t17-,18-,19+,20-,22-/m1/s1
InChIKey JVIJLLPEOWROGA-XVFHSBKUSA-N
Molecular Weight 432.513 g/mol
SMILES [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC(\C(=C\CCc1ccccc1)C)=O)[H])[H]
SPLASH splash10-097j-0900400000-c6d08dc25e7921baa93d
Source of Spectrum QC-10-1064-6
Wiley ID 871244