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PENTA-O-METHYLPOLYCITON-A

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PENTA-O-METHYLPOLYCITON-A
SpectraBase Compound ID 5HWHfmQhxRr
InChI InChI=1S/C43H31Br8NO7/c1-55-25-8-6-20(7-9-25)10-11-52-36(38(53)23-16-30(48)42(58-4)31(49)17-23)34(21-12-26(44)40(56-2)27(45)13-21)35(22-14-28(46)41(57-3)29(47)15-22)37(52)39(54)24-18-32(50)43(59-5)33(51)19-24/h6-9,12-19H,10-11H2,1-5H3
InChIKey SYNQAUGCJMRILY-UHFFFAOYSA-N
Mol Weight 1313.0 g/mol
Molecular Formula C43H31Br8NO7
Exact Mass 1304.556756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YbVon7RWTj
Name PENTA-O-METHYLPOLYCITON-A
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H31Br8NO7
InChI InChI=1S/C43H31Br8NO7/c1-55-25-8-6-20(7-9-25)10-11-52-36(38(53)23-16-30(48)42(58-4)31(49)17-23)34(21-12-26(44)40(56-2)27(45)13-21)35(22-14-28(46)41(57-3)29(47)15-22)37(52)39(54)24-18-32(50)43(59-5)33(51)19-24/h6-9,12-19H,10-11H2,1-5H3
InChIKey SYNQAUGCJMRILY-UHFFFAOYSA-N
Literature Reference Author A.RUDI,I.GOLDBERG,Z.STEIN,F.FROLOW,Y.BENAYAHU,M.SCHLEYER,Y.K ASHMAN
Literature Reference Citation J.ORG.CHEM.,59,999(1994)
Literature Reference DOI 10.1021/jo00084a015
Molecular Weight 1312.954 g/mol
Solvent CDCl3
Source File Reference UWCP4931