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6-OXO-6A,12A-DEHYDRO-ALPHA-TOXICAROL
SpectraBase Compound ID 4JH9UdwL2VN
InChI InChI=1S/C23H18O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,24H,1-4H3
InChIKey CTZYCWHOPAEGRU-UHFFFAOYSA-N
Mol Weight 422.39 g/mol
Molecular Formula C23H18O8
Exact Mass 422.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxsBs8goMB6
Name 6-OXO-6A,12A-DEHYDRO-ALPHA-TOXICAROL
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18O8
InChI InChI=1S/C23H18O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,24H,1-4H3
InChIKey CTZYCWHOPAEGRU-UHFFFAOYSA-N
Literature Reference Author Y.L.LIN,Y.H.KUO
Literature Reference Citation HETEROCYCLES,41,1959(1995)
Literature Reference DOI 10.3987/COM-95-7069
Molecular Weight 422.391 g/mol
Solvent CDCl3
Source File Reference UWCP8410