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(+/-)-(3-R/S,5-Z)-4-(BENZYLOXY)-3,5-DIMETHYL-7-(2-METHYL-PROP-1-YLSULFONYL)-OCT-5-EN-2-ONE;MIXTURE-OF-SYN-AND-ANTI
SpectraBase Compound ID LML4Vq8L8Sv
InChI InChI=1S/2C21H32O4S/c2*1-15(2)14-26(23,24)17(4)12-16(3)21(18(5)19(6)22)25-13-20-10-8-7-9-11-20/h2*7-12,15,17-18,21H,13-14H2,1-6H3/b2*16-12-/t17-,18+,21-;17-,18-,21-/m00/s1
InChIKey HRHQGKUBVVWBFP-XOJITFERSA-N
Mol Weight 761.1 g/mol
Molecular Formula C42H64O8S2
Exact Mass 760.404261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zOjaSn5efy
Name (+/-)-(3-R/S,5-Z)-4-(BENZYLOXY)-3,5-DIMETHYL-7-(2-METHYL-PROP-1-YLSULFONYL)-OCT-5-EN-2-ONE;MIXTURE-OF-SYN-AND-ANTI
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O8S2
InChI InChI=1S/2C21H32O4S/c2*1-15(2)14-26(23,24)17(4)12-16(3)21(18(5)19(6)22)25-13-20-10-8-7-9-11-20/h2*7-12,15,17-18,21H,13-14H2,1-6H3/b2*16-12-/t17-,18+,21-;17-,18-,21-/m00/s1
InChIKey HRHQGKUBVVWBFP-XOJITFERSA-N
Literature Reference Author L.C.BOUCHEZ,C.CRAITA,P.VOGEL
Literature Reference Citation ORG.LETTERS,7,897(2005)
Literature Reference DOI 10.1021/ol050006z
Molecular Weight 761.085 g/mol
Sample ID 42462
Solvent CDCl3