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XYLARENAL-A
SpectraBase Compound ID AxqBOzittEZ
InChI InChI=1S/C25H38O4/c1-5-6-7-8-9-10-11-12-24(28)29-23-14-13-19(3)25(4)16-20(18(2)17-26)22(27)15-21(23)25/h15,17,19-20,23H,2,5-14,16H2,1,3-4H3/t19-,20-,23+,25+/m0/s1
InChIKey STMJKOIBKJGTDP-VRKOAZSQSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGBrIbHWEfH
Name XYLARENAL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-5-6-7-8-9-10-11-12-24(28)29-23-14-13-19(3)25(4)16-20(18(2)17-26)22(27)15-21(23)25/h15,17,19-20,23H,2,5-14,16H2,1,3-4H3/t19-,20-,23+,25+/m0/s1
InChIKey STMJKOIBKJGTDP-VRKOAZSQSA-N
Literature Reference Author C.J.SMITH,N.R.MORIN,G.F.BILLS,A.W.DOMBROWSKI,G.M.SALITURO,S. K.SMITH,A.ZHAO,D.J.M
Literature Reference Citation J.ORG.CHEM.,67,5001(2002)
Literature Reference DOI 10.1021/jo011054+
Molecular Weight 402.574 g/mol
Solvent CD2Cl2
Source File Reference UWSI21857