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#60;(3R,4S)-5-BROMO-1-HYDROXY-8-METHOXY-4-[(2-METHOXYETHOXY)-METHOXY]-3-METHYL-4A-[TRIS-(METHYLTHIO)-METHYL]-4,4A-DIHYDRO-2H-XANTHEN-9(3H)-ONE;TRANS-ISOMER

View entire compound with spectra: 1 NMR

#60;(3R,4S)-5-BROMO-1-HYDROXY-8-METHOXY-4-[(2-METHOXYETHOXY)-METHOXY]-3-METHYL-4A-[TRIS-(METHYLTHIO)-METHYL]-4,4A-DIHYDRO-2H-XANTHEN-9(3H)-ONE;TRANS-ISOMER
SpectraBase Compound ID JO87y2cfrNg
InChI InChI=1S/C23H31BrO7S3/c1-13-11-15(25)18-19(26)17-16(28-3)8-7-14(24)20(17)31-22(18,23(32-4,33-5)34-6)21(13)30-12-29-10-9-27-2/h7-8,13,21,25H,9-12H2,1-6H3/t13-,21+,22-/m1/s1
InChIKey BKXWAPOVKHHZID-BGUDKVOASA-N
Mol Weight 595.58 g/mol
Molecular Formula C23H31BrO7S3
Exact Mass 594.04153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXQGVNHVsSy
Name #60;(3R,4S)-5-BROMO-1-HYDROXY-8-METHOXY-4-[(2-METHOXYETHOXY)-METHOXY]-3-METHYL-4A-[TRIS-(METHYLTHIO)-METHYL]-4,4A-DIHYDRO-2H-XANTHEN-9(3H)-ONE;TRANS-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31BrO7S3
InChI InChI=1S/C23H31BrO7S3/c1-13-11-15(25)18-19(26)17-16(28-3)8-7-14(24)20(17)31-22(18,23(32-4,33-5)34-6)21(13)30-12-29-10-9-27-2/h7-8,13,21,25H,9-12H2,1-6H3/t13-,21+,22-/m1/s1
InChIKey BKXWAPOVKHHZID-BGUDKVOASA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 595.579 g/mol
Solvent CDCl3
Source File Reference UWIR19899