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MORELI-3,9-DIEN-7-BETA-OL-2-ONE-PARA-NITROBENZOATE
SpectraBase Compound ID 3LHmrFbWO3e
InChI InChI=1S/C22H23NO5/c1-11-9-16(24)19-12(2)15-10-17(22(3,4)20(19)18(11)15)28-21(25)13-5-7-14(8-6-13)23(26)27/h5-9,15,17-20H,2,10H2,1,3-4H3/t15-,17+,18+,19+,20?/m0/s1
InChIKey UNQVJIISZHGKJA-OJOCTVGYSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQEzidluIYg
Name MORELI-3,9-DIEN-7-BETA-OL-2-ONE-PARA-NITROBENZOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-11-9-16(24)19-12(2)15-10-17(22(3,4)20(19)18(11)15)28-21(25)13-5-7-14(8-6-13)23(26)27/h5-9,15,17-20H,2,10H2,1,3-4H3/t15-,17+,18+,19+,20?/m0/s1
InChIKey UNQVJIISZHGKJA-OJOCTVGYSA-N
Literature Reference Author L.U.ROMAN,J.D.HERNANDEZ,C.M.CERDA-GARCIA-ROJAS,R.M.DOMINGUEZ -LOPEZ,P.JOSEPH-NATH
Literature Reference Citation J.NAT.PROD.,55,577(1992)
Literature Reference DOI 10.1021/np50083a004
Molecular Weight 381.428 g/mol
Solvent CDCl3
Source File Reference UWCS4280