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1-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-2-PYRROLIDINONE
SpectraBase Compound ID 1m8VvIw0Kae
InChI InChI=1S/C27H37NO2/c1-17(28-15-5-6-25(28)30)19-11-13-26(3)20(16-19)7-8-21-23-10-9-22(18(2)29)27(23,4)14-12-24(21)26/h7,16,21-24H,1,5-6,8-15H2,2-4H3/t21-,22+,23-,24-,26-,27+/m0/s1
InChIKey ZHJXOWXAZCQQFO-ADIOIALBSA-N
Mol Weight 407.6 g/mol
Molecular Formula C27H37NO2
Exact Mass 407.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bw5JM09nx6P
Name 1-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-2-PYRROLIDINONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H37NO2
InChI InChI=1S/C27H37NO2/c1-17(28-15-5-6-25(28)30)19-11-13-26(3)20(16-19)7-8-21-23-10-9-22(18(2)29)27(23,4)14-12-24(21)26/h7,16,21-24H,1,5-6,8-15H2,2-4H3/t21-,22+,23-,24-,26-,27+/m0/s1
InChIKey ZHJXOWXAZCQQFO-ADIOIALBSA-N
Literature Reference Author K.S.A.VALLIN,Q.ZHANG,M.LARHED,D.P.CURRAN,A.HALLBERG
Literature Reference Citation J.ORG.CHEM.,68,6639(2003)
Literature Reference DOI 10.1021/jo034265i
Molecular Weight 407.596 g/mol
Solvent CDCl3
Source File Reference UWLU28034