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(3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3-TERT.-BUTOXY-3,4,4A,5-TETRAHYDRO-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
SpectraBase Compound ID JJb4bxRiExS
InChI InChI=1S/2C18H23NO3S/c2*1-11-17-14(10-16(21-11)22-18(3,4)5)19(12(2)20)13-8-6-7-9-15(13)23-17/h2*6-9,14,16H,10H2,1-5H3/t14-,16+;14-,16-/m00/s1
InChIKey KQBPCSHIOSHADL-QNQDLDTESA-N
Mol Weight 666.89 g/mol
Molecular Formula C36H46N2O6S2
Exact Mass 666.27973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wrT1uvC45V
Name (3R*,4AR*)/(3S*,4AR*)-5-ACETYL-3-TERT.-BUTOXY-3,4,4A,5-TETRAHYDRO-1-METHYLPYRANO-[3,4-B]-[1,4]-BENZOTHIAZINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H46N2O6S2
InChI InChI=1S/2C18H23NO3S/c2*1-11-17-14(10-16(21-11)22-18(3,4)5)19(12(2)20)13-8-6-7-9-15(13)23-17/h2*6-9,14,16H,10H2,1-5H3/t14-,16+;14-,16-/m00/s1
InChIKey KQBPCSHIOSHADL-QNQDLDTESA-N
Literature Reference Author L.F.TIETZE,J.FENNEN,J.WICHMANN
Literature Reference Citation CHEM.BER.,125,1507(1992)
Literature Reference DOI 10.1002/cber.19921250629
Molecular Weight 666.891 g/mol
Solvent CDCl3
Source File Reference UWCS6725