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(+/-)-TRANS-1-ACETOXY-2-BROMO-1,2-DIHYDRO-1-HYDROXY-6-METHOXY-3,3-DIMETHYL-3H,7H-PYRAN-[2,3-C]-XANTHEN-7-ONE
SpectraBase Compound ID 56JCPsuD4mL
InChI InChI=1S/C21H19BrO6/c1-10(23)26-19-16-14(28-21(2,3)20(19)22)9-13(25-4)15-17(24)11-7-5-6-8-12(11)27-18(15)16/h5-9,19-20H,1-4H3/t19-,20+/m0/s1
InChIKey QQYWTCZUYQLBEO-VQTJNVASSA-N
Mol Weight 447.28 g/mol
Molecular Formula C21H19BrO6
Exact Mass 446.036501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsMLUadCUpr
Name (+/-)-TRANS-1-ACETOXY-2-BROMO-1,2-DIHYDRO-1-HYDROXY-6-METHOXY-3,3-DIMETHYL-3H,7H-PYRAN-[2,3-C]-XANTHEN-7-ONE
Compound Number 3AB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrO6
InChI InChI=1S/C21H19BrO6/c1-10(23)26-19-16-14(28-21(2,3)20(19)22)9-13(25-4)15-17(24)11-7-5-6-8-12(11)27-18(15)16/h5-9,19-20H,1-4H3/t19-,20+/m0/s1
InChIKey QQYWTCZUYQLBEO-VQTJNVASSA-N
Literature Reference Author P.MARAKOS,A.L.SKALTSOUNIS,S.LEONCE,G.ATASSI,D.H.CAIGNARD,K.G HIRTIS,N.POULI
Literature Reference Citation J.HETCYCL.CHEM.,38,147(2001)
Literature Reference DOI 10.1002/jhet.5570380121
Molecular Weight 447.282 g/mol
Solvent CDCl3
Source File Reference UWLU20967