John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KgsahMPHPRq SpectraBase Spectrum ID=1K6GyFBySux

(accessed ).
DEMETHYLCAESALDEKARIN
SpectraBase Compound ID KgsahMPHPRq
InChI InChI=1S/C20H28O4/c1-12-13-5-9-20(23)18(2,7-4-8-19(20,3)17(21)22)15(13)11-16-14(12)6-10-24-16/h6,10,12-13,15,23H,4-5,7-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,18-,19-,20+/m1/s1
InChIKey SWWBGUDLCYBCKU-FBZMMNSESA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.19876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K6GyFBySux
Name DEMETHYLCAESALDEKARIN
Compound Number 3
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12-13-5-9-20(23)18(2,7-4-8-19(20,3)17(21)22)15(13)11-16-14(12)6-10-24-16/h6,10,12-13,15,23H,4-5,7-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,18-,19-,20+/m1/s1
InChIKey SWWBGUDLCYBCKU-FBZMMNSESA-N
Literature Reference Author D.L.LYDER,S.R.PETER,W.F.TINTO,S.M.BISSADA,S.MCLEAN,W.F.REYNO LDS
Literature Reference Citation J.NAT.PROD.,61,1462(1998)
Literature Reference DOI 10.1021/np980198p
Molecular Weight 332.440 g/mol
Solvent CDCl3
Source File Reference UWGE1206
SpectraBase Batch ID 12d4o9rQnWc