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4-METHYL-7-(beta-D-XYLOPYRANOSYL)OXY]COUMARIN, TRIACETATE

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4-METHYL-7-(beta-D-XYLOPYRANOSYL)OXY]COUMARIN, TRIACETATE
SpectraBase Compound ID CcbN3090CW5
InChI InChI=1S/C21H22O10/c1-10-7-18(25)31-16-8-14(5-6-15(10)16)30-21-20(29-13(4)24)19(28-12(3)23)17(9-26-21)27-11(2)22/h5-8,17,19-21H,9H2,1-4H3/t17-,19+,20-,21+/m1/s1
InChIKey FBIYTEXJLCUIRN-PMXSJFBMSA-N
Mol Weight 434.4 g/mol
Molecular Formula C21H22O10
Exact Mass 434.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7f1OgKsE5Ci
Name 4-METHYL-7-(beta-D-XYLOPYRANOSYL)OXY]COUMARIN, TRIACETATE
Source of Sample C. K. De Bruyne, State University of Ghent, Ghent, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O10
InChI InChI=1S/C21H22O10/c1-10-7-18(25)31-16-8-14(5-6-15(10)16)30-21-20(29-13(4)24)19(28-12(3)23)17(9-26-21)27-11(2)22/h5-8,17,19-21H,9H2,1-4H3/t17-,19+,20-,21+/m1/s1
InChIKey FBIYTEXJLCUIRN-PMXSJFBMSA-N
Melting Point 158C
Molecular Weight 434.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms XYLOPYRANOSIDE, 4-METHYL-2-OXO-2H- 1-BENZOPYRAN-7-YL, TRIACETATE, B-D-, COUMARIN, 4-METHYL-7-/B-D-XYLOPYRANOSYLOXY/-, TRIACETATE