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[(2R,3R,4S,5R)-4,5-diacetoxy-6-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4S,5R)-4,5-diacetoxy-6-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
SpectraBase Compound ID 5a3ppnXSGzE
InChI InChI=1S/C31H40O20/c1-12-9-22(39)49-29(12)51-31-28(46-19(8)38)26(44-17(6)36)24(21(48-31)11-41-14(3)33)50-30-27(45-18(7)37)25(43-16(5)35)23(42-15(4)34)20(47-30)10-40-13(2)32/h9,20-21,23-31H,10-11H2,1-8H3/t20-,21-,23-,24-,25+,26+,27-,28-,29?,30+,31?/m1/s1
InChIKey HXVCUTPMOHULOL-BBJFTZSASA-N
Mol Weight 732.6 g/mol
Molecular Formula C31H40O20
Exact Mass 732.211294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzW3D8Pfzxa
Name [(2R,3R,4S,5R)-4,5-diacetoxy-6-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
Alternate Name(s) [(2R,3R,4S,5R)-4,5-diacetyloxy-6-[(3-methyl-5-oxidanylidene-2H-furan-2-yl)oxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate [(2R,3R,4S,5R)-4,5-diacetyloxy-6-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Acetic acid [(2R,3R,4S,5R)-4,5-diacetyloxy-6-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]-3-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
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Formula C31H40O20
InChI InChI=1S/C31H40O20/c1-12-9-22(39)49-29(12)51-31-28(46-19(8)38)26(44-17(6)36)24(21(48-31)11-41-14(3)33)50-30-27(45-18(7)37)25(43-16(5)35)23(42-15(4)34)20(47-30)10-40-13(2)32/h9,20-21,23-31H,10-11H2,1-8H3/t20-,21-,23-,24-,25+,26+,27-,28-,29?,30+,31?/m1/s1
InChIKey HXVCUTPMOHULOL-BBJFTZSASA-N
Molecular Weight 732.641 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@]1([C@@]([C@@](OC(=O)C)(C(O[C@@]1(COC(=O)C)[H])OC1OC(=O)C=C1C)[H])(OC(=O)C)[H])[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-014i-6904000000-d34ff374c37b7a9b068f
Source of Spectrum CV-2005-1548-14
Wiley ID 1611756