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17.beta.-Hydroxy-3-methoxy-6-oxaestra-1,3,5(10)-trien-7-one
SpectraBase Compound ID 9cDDr6Wi9Qm
InChI InChI=1S/C18H22O4/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/h3-4,9,12-13,15-16,19H,5-8H2,1-2H3/t12-,13+,15+,16-,18+/m1/s1
InChIKey PKZYZMZIUSWEDS-QXSSDPEGSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PjSu30zZVX
Name 17-BETA-HYDROXY-3-METHOXY-6-OXAESTRA-1,3,5(10)-TRIEN-7-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/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/h3-4,9,12-13,15-16,19H,5-8H2,1-2H3/t12-,13+,15+,16-,18+/m1/s1
InChIKey PKZYZMZIUSWEDS-QXSSDPEGSA-N
Literature Reference Author D.G.BOURKE,D.J.COLLINS
Literature Reference Citation AUSTR.J.CHEM.,51,1003(1998)
Literature Reference DOI 10.1071/C97179
Molecular Weight 302.370 g/mol
Solvent CDCl3
Source File Reference UWGE1945