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(3S:5S)-5-Acetoxy-3-[2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy]-hexanoic acid methyl ester
SpectraBase Compound ID D1iCy3v8729
InChI InChI=1S/C23H34O14/c1-11(32-13(3)25)8-17(9-19(29)30-7)36-23-22(35-16(6)28)21(34-15(5)27)20(33-14(4)26)18(37-23)10-31-12(2)24/h11,17-18,20-23H,8-10H2,1-7H3/t11-,17-,18+,20+,21-,22+,23+/m0/s1
InChIKey JVMOWNUDWUHKNA-VWFRFNPISA-N
Mol Weight 534.5 g/mol
Molecular Formula C23H34O14
Exact Mass 534.194856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxmQlCReD7j
Name (3S:5S)-5-Acetoxy-3-[2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy]-hexanoic acid methyl ester
Alternate Name(s) (2R,3R,4S,5R,6R)-2-(((3S,5S)-5-acetoxy-1-methoxy-1-oxohexan-3-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O14
InChI InChI=1S/C23H34O14/c1-11(32-13(3)25)8-17(9-19(29)30-7)36-23-22(35-16(6)28)21(34-15(5)27)20(33-14(4)26)18(37-23)10-31-12(2)24/h11,17-18,20-23H,8-10H2,1-7H3/t11-,17-,18+,20+,21-,22+,23+/m0/s1
InChIKey JVMOWNUDWUHKNA-VWFRFNPISA-N
Molecular Weight 534.511 g/mol
SMILES [C@@]1([C@]([C@@]([C@@](COC(=O)C)(O[C@]1(O[C@@]([H])(C[C@](C)(OC(=O)C)[H])CC(=O)OC)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-000i-0900000000-c9ce5621a1d079e3d7b7
Source of Spectrum K-104-1428-8
Wiley ID 1793423