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CALAMUSIN_I
SpectraBase Compound ID 4gO88xGhoqy
InChI InChI=1S/C12H18O3/c1-11-5-3-8(13)7-9(11)12(2,15)6-4-10(11)14/h7,10,14-15H,3-6H2,1-2H3/t10-,11-,12-/m0/s1
InChIKey QKBMWRGCXJWSPL-SRVKXCTJSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYSWzae64nQ
Name CALAMUSIN_I
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-11-5-3-8(13)7-9(11)12(2,15)6-4-10(11)14/h7,10,14-15H,3-6H2,1-2H3/t10-,11-,12-/m0/s1
InChIKey QKBMWRGCXJWSPL-SRVKXCTJSA-N
Literature Reference Author Z.Y.HAO,D.LIANG,H.LUO,Y.F.LIU,G.NI,Q.J.ZHANG,L.LI,Y.K.SI,H.S UN,R.Y.CHEN,D.Q.YU
Literature Reference Citation J.NAT.PROD.,75,1083(2012)
Literature Reference DOI 10.1021/np300095c
Molecular Weight 210.273 g/mol
Sample ID 41107
Solvent ACETONE-D6