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20-ACETOXY-4-OXA-3,5-SECOPREGNAN-5,17-DIEN-3-ONE
SpectraBase Compound ID 3X8sNP7kIJf
InChI InChI=1S/C22H30O4/c1-13(25-14(2)23)16-6-7-17-15-5-8-19-22(4,12-10-20(24)26-19)18(15)9-11-21(16,17)3/h8,15,17-18H,5-7,9-12H2,1-4H3/b16-13+/t15-,17-,18-,21+,22+/m0/s1
InChIKey VEQPRUXOZPPKJC-YIRDKXKMSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kv0yt20GxXk
Name 20-ACETOXY-4-OXA-3,5-SECOPREGNAN-5,17-DIEN-3-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13(25-14(2)23)16-6-7-17-15-5-8-19-22(4,12-10-20(24)26-19)18(15)9-11-21(16,17)3/h8,15,17-18H,5-7,9-12H2,1-4H3/b16-13+/t15-,17-,18-,21+,22+/m0/s1
InChIKey VEQPRUXOZPPKJC-YIRDKXKMSA-N
Literature Reference Author M.HAASE-HELD,M.HATZIS,J.MANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2907(1993)
Literature Reference DOI 10.1039/p19930002907
Molecular Weight 358.478 g/mol
Solvent CDCl3
Source File Reference UWCS18955