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(3E,9E)-5,10:8,9-DISECOCHOLESTA-3,9-DIENE-5,8-DIONE
SpectraBase Compound ID CLmZowqKwCS
InChI InChI=1S/C27H44O2/c1-20(2)10-8-13-22(4)24-16-17-25-26(29)18-15-23(28)14-7-6-11-21(3)12-9-19-27(24,25)5/h7,12,14,20,22,24-25H,6,8-11,13,15-19H2,1-5H3/b14-7-,21-12+/t22?,24-,25?,27-/m1/s1
InChIKey ADJLFOXLBXYGGI-WSLDGEAXSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7AVT8bfSWW
Name (3E,9E)-5,10:8,9-DISECOCHOLESTA-3,9-DIENE-5,8-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-20(2)10-8-13-22(4)24-16-17-25-26(29)18-15-23(28)14-7-6-11-21(3)12-9-19-27(24,25)5/h7,12,14,20,22,24-25H,6,8-11,13,15-19H2,1-5H3/b14-7-,21-12+/t22?,24-,25?,27-/m1/s1
InChIKey ADJLFOXLBXYGGI-WSLDGEAXSA-N
Literature Reference Author L.LORENC,L.BONDARENKO,V.PAVLOVIC,H.FUHRER,G.RIHS,J.KALVODA,M .L.MIHAILOVIC
Literature Reference Citation HELV.CHIM.ACTA,72,608(1989)
Literature Reference DOI 10.1002/hlca.19890720320
Molecular Weight 400.645 g/mol
Solvent CDCl3
Source File Reference UWED12352