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3-BETA-ACETOXY,12-ALPHA-HYDROXY-DIGOXIGENIN

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3-BETA-ACETOXY,12-ALPHA-HYDROXY-DIGOXIGENIN
SpectraBase Compound ID IGSH1a6QDUm
InChI InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey BRPTXGUNXVNFHJ-QKAIHEFKSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIlQhJh8voN
Name 12-EPI-DIGOXIGENIN-3-ACETATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21+,23+,24+,25+/m1/s1
InChIKey BRPTXGUNXVNFHJ-QKAIHEFKSA-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 432.557 g/mol
Solvent PYRIDINE-D5
Source File Reference UWMK263