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Digoxigenin
SpectraBase Compound ID C61SRJJyarz
InChI InChI=1S/C23H34O5/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/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKey SHIBSTMRCDJXLN-KCZCNTNESA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OA3YrjGL6w
Name DIGOXIGENIN,(3-BETA-OH,5-BETA-H)
CAS Registry Number 1672-46-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/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/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKey SHIBSTMRCDJXLN-KCZCNTNESA-N
Literature Reference Author L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1779(1981)
Literature Reference DOI 10.1039/p19810001779
Molecular Weight 390.520 g/mol
Solvent CDCl3:DMSO
Source File Reference UNIW8412