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(3RS,4SR)-CIS-3,4-DIHYDRO-[S-(N-ACETYL)-O-METHYLCYSTEINYL)]-3-HYDROXY-6,7-DIMETHOXY-2,2-DIMETHYLBENZO-1H-PYRANE
SpectraBase Compound ID Jzreion8ofj
InChI InChI=1S/2C19H27NO7S/c2*1-10(21)20-12(18(23)26-6)9-28-16-11-7-14(24-4)15(25-5)8-13(11)27-19(2,3)17(16)22/h2*7-8,12,16-17,22H,9H2,1-6H3,(H,20,21)/t2*12?,16-,17-/m10/s1
InChIKey KSEURVCFTCIHHD-BPCLZNNVSA-N
Mol Weight 826.97 g/mol
Molecular Formula C38H54N2O14S2
Exact Mass 826.301647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0Z4pRNycYI
Name (3RS,4SR)-CIS-3,4-DIHYDRO-[S-(N-ACETYL)-O-METHYLCYSTEINYL)]-3-HYDROXY-6,7-DIMETHOXY-2,2-DIMETHYLBENZO-1H-PYRANE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H54N2O14S2
InChI InChI=1S/2C19H27NO7S/c2*1-10(21)20-12(18(23)26-6)9-28-16-11-7-14(24-4)15(25-5)8-13(11)27-19(2,3)17(16)22/h2*7-8,12,16-17,22H,9H2,1-6H3,(H,20,21)/t2*12?,16-,17-/m10/s1
InChIKey KSEURVCFTCIHHD-BPCLZNNVSA-N
Literature Reference Author A.CONCHILLO,F.CAMPS,A.MESSEGUER
Literature Reference Citation J.ORG.CHEM.,55,1728(1990)
Literature Reference DOI 10.1021/jo00293a012
Molecular Weight 826.972 g/mol
Solvent CDCl3
Source File Reference UWCS10627