John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8bqsQsvn9C5 SpectraBase Spectrum ID=10Uf60pExDL

(accessed ).
MIROESTROL
SpectraBase Compound ID 8bqsQsvn9C5
InChI InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
InChIKey RJKLDOLOCIQYFS-PRTISISMSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10Uf60pExDL
Name MIROESTROL
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
InChIKey RJKLDOLOCIQYFS-PRTISISMSA-N
Literature Reference Author S.CHANSAKAOW,T.ISHIKAWA,H.SEKI,K.SEKINE,M.OKADA,C.CHAICHANTI PYUTH
Literature Reference Citation J.NAT.PROD.,63,173(2000)
Literature Reference DOI 10.1021/np990547v
Molecular Weight 358.391 g/mol
Solvent CDCl3
Source File Reference UWCS24186
SpectraBase Batch ID Gs9nDVTcRJ4