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Salicin, 2',3',4',6'-tetraacetate .alpha.-salicylate acetate
SpectraBase Compound ID AoJ2Dwd6Zvu
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-23-12-8-6-10-21(23)14-38-29(36)22-11-7-9-13-24(22)39-17(2)32/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey BRECGHPINXGRMZ-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C30H32O14
Exact Mass 616.179206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MbS47pU8mq
Name Salicin, 2',3',4',6'-tetraacetate .alpha.-salicylate acetate
Alternate Name(s) 2-[(2,3,4,6-Tetra-O-acetylhexopyranosyl)oxy]benzyl 2-(acetyloxy)benzoate [2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl 2-acetoxybenzoate [2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]methyl 2-acetyloxybenzoate 2-Acetyloxybenzoic acid [2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]methyl ester
CAS Registry Number 20688-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O14
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-23-12-8-6-10-21(23)14-38-29(36)22-11-7-9-13-24(22)39-17(2)32/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey BRECGHPINXGRMZ-UHFFFAOYSA-N
Molecular Weight 616.572 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)Oc1ccccc1COC(c1ccccc1OC(C)=O)=O)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-05mo-7901000000-74c89c6f6ebbe6963d8c
Source of Spectrum AD-0-1970-0
Wiley ID 65493