John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4h7co6ycgEO SpectraBase Spectrum ID=2bKlF8bKQ5k

(accessed ).
PREGNACETAL;17-ALPHA,20R-DIHYDROXY-3,3-DIMETHOXYPREGNAN-16-ONE
SpectraBase Compound ID 4h7co6ycgEO
InChI InChI=1S/C23H38O5/c1-14(24)23(26)19(25)12-18-16-7-6-15-13-22(27-4,28-5)11-10-20(15,2)17(16)8-9-21(18,23)3/h14-18,24,26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,23+/m0/s1
InChIKey KYGPNWVAMZIKIS-OVZMFXCOSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bKlF8bKQ5k
Name PREGNACETAL;17-ALPHA,20R-DIHYDROXY-3,3-DIMETHOXYPREGNAN-16-ONE
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-14(24)23(26)19(25)12-18-16-7-6-15-13-22(27-4,28-5)11-10-20(15,2)17(16)8-9-21(18,23)3/h14-18,24,26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,20-,21-,23+/m0/s1
InChIKey KYGPNWVAMZIKIS-OVZMFXCOSA-N
Literature Reference Author S.POINTINGER,S.PROMDANG,S.VAJRODAYA,C.M.PANNELL,O.HOFER,K.ME REITER,H.GREGER
Literature Reference Citation PHYTOCHEM.,69,2696(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.08.025
Molecular Weight 394.552 g/mol
Sample ID 63134
Solvent CDCl3
SpectraBase Batch ID GLUXY6KPVHu