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ACETYLDIGITOXIGENIN,(3-BETA-OAC,5-BETA-H)

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ACETYLDIGITOXIGENIN,(3-BETA-OAC,5-BETA-H)
SpectraBase Compound ID 8XUq8OUUVcU
InChI InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1
InChIKey WJOGTCZNZPHODB-WQFRYHCKSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8C7xYflsUpc
Name ACETYLDIGITOXIGENIN,(3-BETA-OAC,5-BETA-H)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1
InChIKey WJOGTCZNZPHODB-WQFRYHCKSA-N
Literature Reference Author H.T.A.CHEUNG,T.R.WATSON,J.N.SEIBER,C.NELSON
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2169(1980)
Literature Reference DOI 10.1039/p19800002169
Molecular Weight 416.558 g/mol
Solvent CDCl3
Source File Reference UNIW8500