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1-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-2-AZEPANONE
SpectraBase Compound ID 3IO6Q4E9ijn
InChI InChI=1S/C29H41NO2/c1-19(30-17-7-5-6-8-27(30)32)21-13-15-28(3)22(18-21)9-10-23-25-12-11-24(20(2)31)29(25,4)16-14-26(23)28/h9,18,23-26H,1,5-8,10-17H2,2-4H3/t23-,24+,25-,26-,28-,29+/m0/s1
InChIKey YSZHABMQTJQTSZ-NEORWOPRSA-N
Mol Weight 435.7 g/mol
Molecular Formula C29H41NO2
Exact Mass 435.31373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElWu3BKsHw9
Name 1-[1-(20-OXOPREGNA-3,5-DIEN-3-YL)-VINYL]-2-AZEPANONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41NO2
InChI InChI=1S/C29H41NO2/c1-19(30-17-7-5-6-8-27(30)32)21-13-15-28(3)22(18-21)9-10-23-25-12-11-24(20(2)31)29(25,4)16-14-26(23)28/h9,18,23-26H,1,5-8,10-17H2,2-4H3/t23-,24+,25-,26-,28-,29+/m0/s1
InChIKey YSZHABMQTJQTSZ-NEORWOPRSA-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 435.650 g/mol
Solvent CDCl3
Source File Reference UWLU28035