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8-OXO-16-BETA-[(D-XYLOPYRANOSYL)-OXY]-HEXADECANOIC-ACID
SpectraBase Compound ID 7iQI2M1Q8gK
InChI InChI=1S/C21H38O8/c22-16(12-8-4-5-9-13-18(24)25)11-7-3-1-2-6-10-14-28-21-20(27)19(26)17(23)15-29-21/h17,19-21,23,26-27H,1-15H2,(H,24,25)/t17-,19+,20-,21-/m1/s1
InChIKey ZTCGSNQMWPUORG-GFOJFJKKSA-N
Mol Weight 418.5 g/mol
Molecular Formula C21H38O8
Exact Mass 418.256668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IWVDjQSp0x
Name 8-OXO-16-BETA-[(D-XYLOPYRANOSYL)-OXY]-HEXADECANOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H38O8
InChI InChI=1S/C21H38O8/c22-16(12-8-4-5-9-13-18(24)25)11-7-3-1-2-6-10-14-28-21-20(27)19(26)17(23)15-29-21/h17,19-21,23,26-27H,1-15H2,(H,24,25)/t17-,19+,20-,21-/m1/s1
InChIKey ZTCGSNQMWPUORG-GFOJFJKKSA-N
Literature Reference Author M.INOUE,K.OHTANI,R.KASAI,M.OKUKUBO,M.ANDRIANTSIFERANA,K.YAMA SAKI,T.KOIKE
Literature Reference Citation PHYTOCHEM.,70,1195(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.06.002
Molecular Weight 418.528 g/mol
Sample ID 45554
Solvent C5D5N