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SYRINGIN-PENTAACETATE;1-ACETOXY-3-(3,5-DIMETHOXY)-4-O-(2,3,4,6-TETRAACETYL-BETA-D-GLUCOPYRANOSYLPHENYL)-2-PROPENE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

SYRINGIN-PENTAACETATE;1-ACETOXY-3-(3,5-DIMETHOXY)-4-O-(2,3,4,6-TETRAACETYL-BETA-D-GLUCOPYRANOSYLPHENYL)-2-PROPENE
SpectraBase Compound ID Dv8XxI6PDjh
InChI InChI=1S/C27H34O14/c1-14(28)35-10-8-9-19-11-20(33-6)23(21(12-19)34-7)41-27-26(39-18(5)32)25(38-17(4)31)24(37-16(3)30)22(40-27)13-36-15(2)29/h8-9,11-12,22,24-27H,10,13H2,1-7H3/b9-8+/t22-,24-,25+,26-,27+/m1/s1
InChIKey KEQKIMKYTIOSCP-WSUMOVQPSA-N
Mol Weight 582.6 g/mol
Molecular Formula C27H34O14
Exact Mass 582.194856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82Uq3ycmKNB
Name Syringin peracetate
Alternate Name(s) (2E)-3-{3,5-dimethoxy-4-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]phenyl}-2-propenyl acetate Acetic acid[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-phenyl]allyl]ester Acetic acid[(E)-3-[3,5-dimethoxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]prop-2-enyl]ester [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-phenyl]allyl]acetate [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-phenyl]prop-2-enyl]ethanoate [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl]acetate Acetic acid [(E)-3-[3,5-dimethoxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]prop-2-enyl] ester [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] acetate [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-phenyl]allyl] acetate [(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-phenyl]prop-2-enyl] ethanoate
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Formula C27H34O14
InChI InChI=1S/C27H34O14/c1-14(28)35-10-8-9-19-11-20(33-6)23(21(12-19)34-7)41-27-26(39-18(5)32)25(38-17(4)31)24(37-16(3)30)22(40-27)13-36-15(2)29/h8-9,11-12,22,24-27H,10,13H2,1-7H3/b9-8+/t22-,24-,25+,26-,27+/m1/s1
InChIKey KEQKIMKYTIOSCP-WSUMOVQPSA-N
Molecular Weight 582.555 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(Oc1c(cc(cc1OC)\C=C\COC(=O)C)OC)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-066u-3911000000-872b6ddaf764e2594313
Source of Spectrum CD-591-0-0
Wiley ID 1408622