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1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4,6-tetra-O-acetyl-A-D-mannopyranosyl)-B-D-mannopyranose
SpectraBase Compound ID FtN5zEf2K5d
InChI InChI=1S/C28H38O19/c1-11(29)37-9-19-22(40-14(4)32)24(42-16(6)34)26(27(45-19)44-18(8)36)47-28-25(43-17(7)35)23(41-15(5)33)21(39-13(3)31)20(46-28)10-38-12(2)30/h19-28H,9-10H2,1-8H3
InChIKey RMIOUCGMUWKQRI-UHFFFAOYSA-N
Mol Weight 678.6 g/mol
Molecular Formula C28H38O19
Exact Mass 678.200729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 820O6CDMuFv
Name 1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranose
Alternate Name(s) Sophorose peracetate [3,4,6-triacetoxy-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate [3,4,6-triacetyloxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate [3,4,6-triacetyloxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Acetic acid [3,4,6-triacetyloxy-5-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
CAS Registry Number 49587-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O19
InChI InChI=1S/C28H38O19/c1-11(29)37-9-19-22(40-14(4)32)24(42-16(6)34)26(27(45-19)44-18(8)36)47-28-25(43-17(7)35)23(41-15(5)33)21(39-13(3)31)20(46-28)10-38-12(2)30/h19-28H,9-10H2,1-8H3
InChIKey RMIOUCGMUWKQRI-UHFFFAOYSA-N
Molecular Weight 678.593 g/mol
SMILES C1(OC(C(C(C1OC(C)=O)OC(C)=O)OC1C(C(C(C(O1)COC(C)=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
SPLASH splash10-00l6-7912000000-c1dff292fdaf1513d7b5
Source of Spectrum O-10-460-3
Wiley ID 1414243