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KQJGPGHQDDZVHJ-ZFOCBLLKSA-N

View entire compound with spectra: 4 NMR, and 1 MS (GC)

KQJGPGHQDDZVHJ-ZFOCBLLKSA-N
SpectraBase Compound ID Lc0WDilcdi8
InChI InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3+/t8-,9+,10+,11-/m0/s1
InChIKey KQJGPGHQDDZVHJ-ZFOCBLLKSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID q2Hm1Waadu
Name HERBARUMIN-II;MAJOR-CONFORMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3+/t8-,9+,10+,11-/m0/s1
InChIKey KQJGPGHQDDZVHJ-ZFOCBLLKSA-N
Literature Reference Author A.FUERSTNER,K.RADKOWSKI,C.WIRTZ,R.GODDARD,C.W.LEHMANN,R.MYNO TT
Literature Reference Citation J.AM.CHEM.SOC.,124,7061(2002)
Literature Reference DOI 10.1021/ja020238i
Molecular Weight 244.288 g/mol
Sample ID 49939
Solvent CDCl3