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ISOVALERYLSHIKONIN
SpectraBase Compound ID 54MSGDC8bEq
InChI InChI=1S/C21H24O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,10,12,17,22-23H,8-9H2,1-4H3/t17-/m1/s1
InChIKey UTOUNDHZJFIVPK-QGZVFWFLSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LSL60AlQwM
Name ISOVALERYLSHIKONIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,10,12,17,22-23H,8-9H2,1-4H3/t17-/m1/s1
InChIKey UTOUNDHZJFIVPK-QGZVFWFLSA-N
Literature Reference Author N.KRETSCHMER,B.RINNER,A.J.A.DEUTSCH,B.LOHBERGER,H.KNAUSZ,O.K UNERT,M.BLUNDER,H.BO
Literature Reference Citation J.NAT.PROD.,75,865(2012)
Literature Reference DOI 10.1021/np2006499
Molecular Weight 372.418 g/mol
Sample ID 40388
Solvent CDCl3