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12-OXO-DIGITOXIGENIN
SpectraBase Compound ID 7NedaeiM608
InChI InChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-18,24,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,21+,22+,23+/m1/s1
InChIKey ZXYZKJDCZKIVKY-DKTASMHOSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESdJDvb9ASy
Name 12-OXO-DIGITOXIGENIN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-18,24,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,21+,22+,23+/m1/s1
InChIKey ZXYZKJDCZKIVKY-DKTASMHOSA-N
Literature Reference Author K.SHIMADA,H.MASUDA,H.OHTAKI,N.KOBAYASHI,T.NAMBARA
Literature Reference Citation HETEROCYCLES,30,441(1990)
Literature Reference DOI 10.3987/COM-89-S18
Molecular Weight 388.504 g/mol
Solvent C5D5N
Source File Reference UWMK261