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Xyloketal A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Xyloketal A
SpectraBase Compound ID CuHrBmZWt6H
InChI InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1
InChIKey HFZTVRRNBDAJIS-PERNPGNGSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4TumpurMOq
Name XYLOKETAL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1
InChIKey HFZTVRRNBDAJIS-PERNPGNGSA-N
Literature Reference Author Y.LIN,X.WU,S.FENG,G.JIANG,J.LUO,S.ZHOU,L.L.P.VRIJMOED,E.B.G. JONES,K.KROHN,K.STEI
Literature Reference Citation J.ORG.CHEM.,66,6252(2001)
Literature Reference DOI 10.1021/jo015522r
Molecular Weight 456.579 g/mol
Solvent CDCl3
Source File Reference UWVN24583