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Salicin, 2',3',4'-triacetate 6'-benzoate .alpha.-salicylate acetate
SpectraBase Compound ID JErwP2Pj1e8
InChI InChI=1S/C35H34O14/c1-20(36)44-28-17-11-9-15-26(28)34(41)42-18-25-14-8-10-16-27(25)48-35-32(47-23(4)39)31(46-22(3)38)30(45-21(2)37)29(49-35)19-43-33(40)24-12-6-5-7-13-24/h5-17,29-32,35H,18-19H2,1-4H3
InChIKey UURCQTBCNZSHCW-UHFFFAOYSA-N
Mol Weight 678.6 g/mol
Molecular Formula C35H34O14
Exact Mass 678.194856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzZQFttPBes
Name Salicin, 2',3',4'-triacetate 6'-benzoate .alpha.-salicylate acetate
Alternate Name(s) 2-[(2,3,4-Tri-O-acetyl-6-O-benzoylhexopyranosyl)oxy]benzyl 2-(acetyloxy)benzoate [2-[3,4,5-triacetoxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl 2-acetoxybenzoate [2-[3,4,5-triacetyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyphenyl]methyl 2-acetyloxybenzoate [2-[3,4,5-triacetyloxy-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxyphenyl]methyl 2-acetyloxybenzoate 2-Acetyloxybenzoic acid [2-[[3,4,5-triacetyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]phenyl]methyl ester Salicyloyl populin tetraacetate 2-(2-(((2-acetoxybenzoyl)oxy)methyl)phenoxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CAS Registry Number 20689-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H34O14
InChI InChI=1S/C35H34O14/c1-20(36)44-28-17-11-9-15-26(28)34(41)42-18-25-14-8-10-16-27(25)48-35-32(47-23(4)39)31(46-22(3)38)30(45-21(2)37)29(49-35)19-43-33(40)24-12-6-5-7-13-24/h5-17,29-32,35H,18-19H2,1-4H3
InChIKey UURCQTBCNZSHCW-UHFFFAOYSA-N
Molecular Weight 678.643 g/mol
SMILES CC(=O)Oc1ccccc1C(=O)OCc1ccccc1OC1C(C(C(C(COC(c2ccccc2)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0a4l-3911000000-3e2960965d85e74ab87f
Source of Spectrum JX-2015-6-6912
Wiley ID 1729516