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(6E,2R,3S,5R)-5-(PHENYLSULFONYL)-3,7,11-TRIMETHYL-6,10-DODECADIENE-2,3-DIOL
SpectraBase Compound ID 3iPi97EEEF1
InChI InChI=1S/C21H32O4S/c1-16(2)10-9-11-17(3)14-20(15-21(5,23)18(4)22)26(24,25)19-12-7-6-8-13-19/h6-8,10,12-14,18,20,22-23H,9,11,15H2,1-5H3/b17-14+/t18-,20+,21?/m1/s1
InChIKey WRRDFKIEMLGFNO-IMTSQAOKSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgOCeQMEGTG
Name (6E,2R,3S,5S)-5-(PHENYLSULFONYL)-3,7,11-TRIMETHYL-6,10-DODECADIENE-2,3-DIOL
Compound Number 31B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c1-16(2)10-9-11-17(3)14-20(15-21(5,23)18(4)22)26(24,25)19-12-7-6-8-13-19/h6-8,10,12-14,18,20,22-23H,9,11,15H2,1-5H3/b17-14+/t18-,20+,21?/m1/s1
InChIKey WRRDFKIEMLGFNO-IMTSQAOKSA-N
Literature Reference Author S.HANESSIAN,N.G.COOKE,B.DEHOFF,Y.SAKITO
Literature Reference Citation J.AM.CHEM.SOC.,112,5276(1990)
Literature Reference DOI 10.1021/ja00169a041
Molecular Weight 380.543 g/mol
Solvent CDCl3
Source File Reference UWRU6746