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18,20(R)-Oxido-20,22-dihydrodigitoxigenin-3.beta.-O-acetat, (5.beta.-H)
SpectraBase Compound ID Fv8Wh4Mbpeg
InChI InChI=1S/C25H36O6/c1-15(26)31-17-5-8-22(2)16(11-17)3-4-19-18(22)6-9-23-13-30-24(12-21(27)29-14-24)20(23)7-10-25(19,23)28/h16-20,28H,3-14H2,1-2H3/t16-,17+,18+,19-,20+,22+,23+,24?,25+/m1/s1
InChIKey RPDWVQYMDYDIEK-RHLDFKFBSA-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 7kD7fVgddVq
Name 18,20(S)-OXIDO-20,22-DIHYDRODIGITOXIGENIN-3-BETA-O-ACETAT,(5-BETA-H)
CAS Registry Number 71183-84-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-15(26)31-17-5-8-22(2)16(11-17)3-4-19-18(22)6-9-23-13-30-24(12-21(27)29-14-24)20(23)7-10-25(19,23)28/h16-20,28H,3-14H2,1-2H3/t16-,17+,18+,19-,20+,22+,23+,24?,25+/m1/s1
InChIKey RPDWVQYMDYDIEK-RHLDFKFBSA-N
Literature Reference Author A.CRUZ,A.GUZMAN,J.IRIARTE,R.MEDINA,J.M.MUCHOWSKI,M.L.MADDOX
Literature Reference Citation J.ORG.CHEM.,44,3511(1979)
Literature Reference DOI 10.1021/jo01334a014
Molecular Weight 432.557 g/mol
Solvent CDCl3
Source File Reference UNIW8553