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19-nor-24-Oxo-ergosta-5,7,9,22-tetraen-3.beta.-yl Acetate
SpectraBase Compound ID KHg6JgaLtek
InChI InChI=1S/C28H38O3/c1-17(2)27(30)13-6-18(3)25-11-12-26-24-9-7-20-16-21(31-19(4)29)8-10-22(20)23(24)14-15-28(25,26)5/h6-7,9,13,17-18,21,25-26H,8,10-12,14-16H2,1-5H3/b13-6+/t18-,21+,25-,26+,28-/m1/s1
InChIKey WLXSTMDSYOVASX-OCXURQERSA-N
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlsQZXzu7tD
Name 19-NOR-24-OXOERGOSTA-5,7,9,22-TETRAEN-3-BETA-YL-ACETATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O3
InChI InChI=1S/C28H38O3/c1-17(2)27(30)13-6-18(3)25-11-12-26-24-9-7-20-16-21(31-19(4)29)8-10-22(20)23(24)14-15-28(25,26)5/h6-7,9,13,17-18,21,25-26H,8,10-12,14-16H2,1-5H3/b13-6+/t18-,21+,25-,26+,28-/m1/s1
InChIKey WLXSTMDSYOVASX-OCXURQERSA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,J.A.POYATOS,D.JIMENEZ,E.OLIVER
Literature Reference Citation J.NAT.PROD.,61,1491(1998)
Literature Reference DOI 10.1021/np980199h
Molecular Weight 422.608 g/mol
Solvent CDCl3
Source File Reference UWGE1164