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[2R*-[2-ALPHA-(S*),1''-BETA,2''-BETA,3''-ALPHA,6''-ALPHA]]-2-[(2''-HYDROXY-3'',6''-DIMETHOXYCYCLOHEX-4''-ENYLOXY)-(PHENYL)-METHYL]-CYCLOHEXAN-1-ONE
SpectraBase Compound ID HI4QRgx78YZ
InChI InChI=1S/C21H28O5/c1-24-17-12-13-18(25-2)21(19(17)23)26-20(14-8-4-3-5-9-14)15-10-6-7-11-16(15)22/h3-5,8-9,12-13,15,17-21,23H,6-7,10-11H2,1-2H3/t15?,17-,18+,19?,20-,21?/m1/s1
InChIKey XKJXZSZJKBMGCS-SSHOXURBSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyE8k30viLD
Name [2R*-[2-ALPHA-(S*),1''-BETA,2''-BETA,3''-ALPHA,6''-ALPHA]]-2-[(2''-HYDROXY-3'',6''-DIMETHOXYCYCLOHEX-4''-ENYLOXY)-(PHENYL)-METHYL]-CYCLOHEXAN-1-ONE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-24-17-12-13-18(25-2)21(19(17)23)26-20(14-8-4-3-5-9-14)15-10-6-7-11-16(15)22/h3-5,8-9,12-13,15,17-21,23H,6-7,10-11H2,1-2H3/t15?,17-,18+,19?,20-,21?/m1/s1
InChIKey XKJXZSZJKBMGCS-SSHOXURBSA-N
Literature Reference Author R.C.CAMBIE,P.S.RUTLEDGE,P.A.WATSON,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,42,1939(1989)
Literature Reference DOI 10.1071/ch9891939
Molecular Weight 360.450 g/mol
Solvent Unknown
Source File Reference UWRU8745