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21,21-DIMETHYL-20-ISOCYANO-3-METHOXY-PREGNA-3,5,16,20-TETRAENE
SpectraBase Compound ID KqyC7mVoVJ6
InChI InChI=1S/C25H34NO/c1-16(2)23(26-5)22-10-9-20-19-8-7-17-15-18(27-6)11-13-24(17,3)21(19)12-14-25(20,22)4/h5,7,10,15,19-21H,8-9,11-14H2,1-4,6H3/q+1/t19-,20-,21-,24-,25-/m0/s1
InChIKey BLOQKIWYEWEQNX-KKYXJMJZSA-N
Mol Weight 364.6 g/mol
Molecular Formula C25H34NO
Exact Mass 364.26404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1D039NFMEj
Name 21,21-DIMETHYL-20-ISOCYANO-3-METHOXY-PREGNA-3,5,16,20-TETRAENE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34NO
InChI InChI=1S/C25H34NO/c1-16(2)23(26-5)22-10-9-20-19-8-7-17-15-18(27-6)11-13-24(17,3)21(19)12-14-25(20,22)4/h5,7,10,15,19-21H,8-9,11-14H2,1-4,6H3/q+1/t19-,20-,21-,24-,25-/m0/s1
InChIKey BLOQKIWYEWEQNX-KKYXJMJZSA-N
Literature Reference Author J.STOELWINDER,A.M.VANLEUSEN
Literature Reference Citation J.ORG.CHEM.,58,3687(1993)
Literature Reference DOI 10.1021/jo00066a021
Molecular Weight 364.551 g/mol
Solvent CDCl3
Source File Reference UWCS20192