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XESTODIOL

View entire compound with spectra: 1 NMR

XESTODIOL
SpectraBase Compound ID 1QS5c87EVvs
InChI InChI=1S/C18H28O4/c1-12(7-6-8-13(2)19)15(21)11-18-16(3,4)9-14(20)10-17(18,5)22-18/h6-8,13-14,19-20H,9-11H2,1-5H3/b8-6+,12-7+/t13?,14-,17+,18-/m1/s1
InChIKey RNQRMJVOBFMAQT-DEQILAARSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGfCEJ2oMB0
Name XESTODIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-12(7-6-8-13(2)19)15(21)11-18-16(3,4)9-14(20)10-17(18,5)22-18/h6-8,13-14,19-20H,9-11H2,1-5H3/b8-6+,12-7+/t13?,14-,17+,18-/m1/s1
InChIKey RNQRMJVOBFMAQT-DEQILAARSA-N
Literature Reference Author P.T.NORTHCOTE,R.J.ANDERSEN
Literature Reference Citation J.NAT.PROD.,50,1174(1987)
Literature Reference DOI 10.1021/np50054a033
Molecular Weight 308.418 g/mol
Solvent CDCl3
Source File Reference UWCS3055