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Salicin, 3',4',6'-triacetate 2'-benzoate .alpha.-salicylate acetate
SpectraBase Compound ID 49eYzC3OxJ5
InChI InChI=1S/C35H34O14/c1-20(36)42-19-29-30(45-22(3)38)31(46-23(4)39)32(49-33(40)24-12-6-5-7-13-24)35(48-29)47-27-16-10-8-14-25(27)18-43-34(41)26-15-9-11-17-28(26)44-21(2)37/h5-17,29-32,35H,18-19H2,1-4H3
InChIKey LRDUZJRZCSSVCR-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 EbmyiPlxvIE
Name Salicin, 3',4',6'-triacetate 2'-benzoate .alpha.-salicylate acetate
CAS Registry Number 20688-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H34O14
InChI InChI=1S/C35H34O14/c1-20(36)42-19-29-30(45-22(3)38)31(46-23(4)39)32(49-33(40)24-12-6-5-7-13-24)35(48-29)47-27-16-10-8-14-25(27)18-43-34(41)26-15-9-11-17-28(26)44-21(2)37/h5-17,29-32,35H,18-19H2,1-4H3
InChIKey LRDUZJRZCSSVCR-UHFFFAOYSA-N
Molecular Weight 678.643 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)Oc1ccccc1COC(c1ccccc1OC(C)=O)=O)OC(c1ccccc1)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0a4l-4900000000-76b5f39b6131ba543a1e
Source of Spectrum AD-0-1974-0
Synonyms 2-[(3,4,6-Tri-O-acetyl-2-O-benzoylhexopyranosyl)oxy]benzyl 2-(acetyloxy)benzoate [2-[4,5-diacetoxy-6-(acetoxymethyl)-3-benzoyloxy-tetrahydropyran-2-yl]oxyphenyl]methyl 2-acetoxybenzoate [2-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(phenylcarbonyloxy)oxan-2-yl]oxyphenyl]methyl 2-acetyloxybenzoate [2-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-benzoyloxyoxan-2-yl]oxyphenyl]methyl 2-acetyloxybenzoate 2-Acetyloxybenzoic acid [2-[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-benzoyloxy-2-oxanyl]oxy]phenyl]methyl ester Salicyloyl tremuloidin tetraacetate 6-(2-(((2-acetoxybenzoyl)oxy)methyl)phenoxy)-2-(acetoxymethyl)-5-(benzoyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
Wiley ID 66120