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N-METHYL-N-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-ACETAMIDE
SpectraBase Compound ID KWDrWQSfhlg
InChI InChI=1S/C26H37NO2/c1-16(27(6)18(3)29)19-11-13-25(4)20(15-19)7-8-21-23-10-9-22(17(2)28)26(23,5)14-12-24(21)25/h7,15,21-24H,1,8-14H2,2-6H3/t21-,22+,23-,24-,25-,26+/m0/s1
InChIKey QALMHBNAOZCDLV-FBQZJRKBSA-N
Mol Weight 395.6 g/mol
Molecular Formula C26H37NO2
Exact Mass 395.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ii0hEdgdxxM
Name N-METHYL-N-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-ACETAMIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H37NO2
InChI InChI=1S/C26H37NO2/c1-16(27(6)18(3)29)19-11-13-25(4)20(15-19)7-8-21-23-10-9-22(17(2)28)26(23,5)14-12-24(21)25/h7,15,21-24H,1,8-14H2,2-6H3/t21-,22+,23-,24-,25-,26+/m0/s1
InChIKey QALMHBNAOZCDLV-FBQZJRKBSA-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 395.585 g/mol
Solvent CD3CN
Source File Reference UWLU28033