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MICHELLAMINE-E

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MICHELLAMINE-E
SpectraBase Compound ID CqhvdildojO
InChI InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23-,24-,25+/m1/s1
InChIKey BWDHNUUYBZPQFQ-VPBXCIAMSA-N
Mol Weight 770.9 g/mol
Molecular Formula C47H50N2O8
Exact Mass 770.356717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ax4bTMT0SB
Name MICHELLAMINE-E
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H50N2O8
InChI InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23-,24-,25+/m1/s1
InChIKey BWDHNUUYBZPQFQ-VPBXCIAMSA-N
Literature Reference Author Y.F.HALLOCK,K.P.MANFREDI,J.R.DAI,J.H.CARDELLINA,R.J.GULAKOWS KI,J.B.MCMAHON,M.SCH
Literature Reference Citation J.NAT.PROD.,60,677(1997)
Literature Reference DOI 10.1021/np9700679
Molecular Weight 770.923 g/mol
Solvent CD3OD
Source File Reference UWRU418