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(+/-)-3-METHOXY-6-OXAESTRA-1,3,5(10)-TRIENE-7,17-DIONE
SpectraBase Compound ID DD3qRvR1H8g
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,12-13,16H,5-8H2,1-2H3/t12?,13?,16-,18+/m1/s1
InChIKey IJRPZQBYDXEFRH-CVYQIYGSSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1WPn9tkyhcK
Name (+/-)-3-METHOXY-6-OXAESTRA-1,3,5(10)-TRIENE-7,17-DIONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,12-13,16H,5-8H2,1-2H3/t12?,13?,16-,18+/m1/s1
InChIKey IJRPZQBYDXEFRH-CVYQIYGSSA-N
Literature Reference Author D.J.COLLINS,A.G.JHINGRAN,S.B.RUTSCHMANN
Literature Reference Citation AUSTR.J.CHEM.,42,1769(1989)
Literature Reference DOI 10.1071/ch9891769
Molecular Weight 300.354 g/mol
Solvent CDCl3
Source File Reference UWRU8719