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6-O-DEMETHYL-6-[6-[1,2-DI-(PARA-BROMOBENZOYLOXY)-ETHYL]-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
SpectraBase Compound ID FSSXNxZHCYJ
InChI InChI=1S/C48H44Br2O15/c1-56-32-20-14-29(15-21-32)48-39(26-8-6-5-7-9-26)38(44(54)58-3)41(51)47(48,55)40-34(57-2)22-33(23-35(40)65-48)62-46-45(59-4)61-25-37(64-46)36(63-43(53)28-12-18-31(50)19-13-28)24-60-42(52)27-10-16-30(49)17-11-27/h5-23,36-39,41,45-46,51,55H,24-25H2,1-4H3/t36-,37-,38-,39-,41-,45-,46-,47+,48+/m1/s1
InChIKey UOMSIUDOJXYIEC-LXVORTGCSA-N
Mol Weight 1020.7 g/mol
Molecular Formula C48H44Br2O15
Exact Mass 1018.104697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXlLP80jGgG
Name 6-O-DEMETHYL-6-[6-[1,2-DI-(PARA-BROMOBENZOYLOXY)-ETHYL]-3-METHOXY-1,4-DIOXAN-2-YL]-AGLAFOLIN
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H44Br2O15
InChI InChI=1S/C48H44Br2O15/c1-56-32-20-14-29(15-21-32)48-39(26-8-6-5-7-9-26)38(44(54)58-3)41(51)47(48,55)40-34(57-2)22-33(23-35(40)65-48)62-46-45(59-4)61-25-37(64-46)36(63-43(53)28-12-18-31(50)19-13-28)24-60-42(52)27-10-16-30(49)17-11-27/h5-23,36-39,41,45-46,51,55H,24-25H2,1-4H3/t36-,37-,38-,39-,41-,45-,46-,47+,48+/m1/s1
InChIKey UOMSIUDOJXYIEC-LXVORTGCSA-N
Literature Reference Author B.Y.HWANG,B.N.SU,H.CHAI,Q.MI,L.B.S.KARDONO,J.J.AFRIASTINI,S. RISWAN,B.D.SANTARSIE
Literature Reference Citation J.ORG.CHEM.,69,3350(2004)
Literature Reference DOI 10.1021/jo040120f
Molecular Weight 1020.676 g/mol
Solvent CDCl3
Source File Reference UWVN21326