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4'-{[2-o-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-2',6'-dihydroxyacetophenone, trihydrate
SpectraBase Compound ID Fw6NtHG69r5
InChI InChI=1S/C20H28O13.3H2O/c1-6(22)12-9(23)3-8(4-10(12)24)31-20-18(16(28)14(26)11(5-21)32-20)33-19-17(29)15(27)13(25)7(2)30-19;;;/h3-4,7,11,13-21,23-29H,5H2,1-2H3;3*1H2/t7-,11+,13-,14+,15+,16-,17+,18+,19-,20+;;;/m0.../s1
InChIKey LUWLODKEJMLYQT-AUYHVBGHSA-N
Mol Weight 530.476 g/mol
Molecular Formula C20H34O16
Exact Mass 530.184685 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FAmsadKDzU1
Name 4'-{[2-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL)-beta-D-GLUCOPYRANOSYL]OXY}-2',6'-DIHYDROXYACETOPHENONE, TRIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S50459
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O16
InChI InChI=1S/C20H28O13.3H2O/c1-6(22)12-9(23)3-8(4-10(12)24)31-20-18(16(28)14(26)11(5-21)32-20)33-19-17(29)15(27)13(25)7(2)30-19;;;/h3-4,7,11,13-21,23-29H,5H2,1-2H3;3*1H2/t7-,11+,13-,14+,15+,16-,17+,18+,19-,20+;;;/m0.../s1
InChIKey LUWLODKEJMLYQT-AUYHVBGHSA-N
Molecular Weight 530.480360
Synonyms ACETOPHENONE, 4*-//2-O-/6-DEOXY- A-L-MANNOPYRANOSYL/-B-D-GLUCOPYRAN- OSYL/OXY/-2*,6*-DIHYDROXY-, TRIHYDRATE ACETOPHENONE, 2*,4*,6*-TRIHYDROXY-, 4*-B-NEOHESPERIDOSIDE, TRIHYDRATE
Technique KBr WAFER