John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=978N4Onzu1I SpectraBase Spectrum ID=2w6FliN7rgd

(accessed ).
(2-BETA,3-ALPHA,5-ALPHA)-2-[(2S)-2-ETHYL-4-MORPHOLINYL]-3-HYDROXY-PREGNANE-11,20-DIONE
SpectraBase Compound ID 978N4Onzu1I
InChI InChI=1S/C27H43NO4/c1-5-18-15-28(10-11-32-18)22-13-26(3)17(12-23(22)30)6-7-19-21-9-8-20(16(2)29)27(21,4)14-24(31)25(19)26/h17-23,25,30H,5-15H2,1-4H3/t17-,18+,19?,20+,21?,22-,23-,25?,26-,27+/m0/s1
InChIKey PYYXBHCJGTUGIW-KEOOHTOZSA-N
Mol Weight 445.6 g/mol
Molecular Formula C27H43NO4
Exact Mass 445.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2w6FliN7rgd
Name (2-BETA,3-ALPHA,5-ALPHA)-2-[(2S)-2-ETHYL-4-MORPHOLINYL]-3-HYDROXY-PREGNANE-11,20-DIONE
Compound Number II
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO4
InChI InChI=1S/C27H43NO4/c1-5-18-15-28(10-11-32-18)22-13-26(3)17(12-23(22)30)6-7-19-21-9-8-20(16(2)29)27(21,4)14-24(31)25(19)26/h17-23,25,30H,5-15H2,1-4H3/t17-,18+,19?,20+,21?,22-,23-,25?,26-,27+/m0/s1
InChIKey PYYXBHCJGTUGIW-KEOOHTOZSA-N
Literature Reference Author L.FIELDING,N.HAMILTON,R.MCGUIRE
Literature Reference Citation MAGN.RES.CHEM.,35,184(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199703)35:3<184::aid-omr59>3.0.co;2-y
Molecular Weight 445.643 g/mol
Solvent CDCl3
Source File Reference UWCP4823
SpectraBase Batch ID KfCRHyG9uRe