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KANSHONE-F;(1R,4R,5S,6S,7R)-1-ISOVALERYLOXYARISTOL-9-EN-8-ONE
SpectraBase Compound ID 2EnLpvVLrl1
InChI InChI=1S/C20H30O3/c1-11(2)9-16(22)23-15-8-7-12(3)20(6)13(15)10-14(21)17-18(20)19(17,4)5/h10-12,15,17-18H,7-9H2,1-6H3/t12-,15-,17-,18+,20+/m0/s1
InChIKey PTYVAENMFGJFCK-GBMAOOPKSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5PvATfODcy
Name KANSHONE-F;(1R,4R,5S,6S,7R)-1-ISOVALERYLOXYARISTOL-9-EN-8-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-11(2)9-16(22)23-15-8-7-12(3)20(6)13(15)10-14(21)17-18(20)19(17,4)5/h10-12,15,17-18H,7-9H2,1-6H3/t12-,15-,17-,18+,20+/m0/s1
InChIKey PTYVAENMFGJFCK-GBMAOOPKSA-N
Literature Reference Author M.A.TANITSU,Y.TAKAYA,M.AKASAKA,M.NIWA,Y.OSHIMA
Literature Reference Citation PHYTOCHEM.,59,845(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00469-1
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWVN2863