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EPIAFZELECHIN-(2-BETA->8,2-BETA->O->7)-EPI-AFZELECHIN-(4-BETA->8)-AFZELECHINE
SpectraBase Compound ID 6uCG4h10vbD
InChI InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30?,37-,38+,39?,40-,41?,44+,45-/m0/s1
InChIKey PMDYNLFGCCRGRX-HUWTXDSUSA-N
Mol Weight 816.8 g/mol
Molecular Formula C45H36O15
Exact Mass 816.20542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QopYFMrljJ
Name EPIAFZELECHIN-(2-BETA->8,2-BETA->O->7)-EPI-AFZELECHIN-(4-BETA->8)-AFZELECHINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36O15
InChI InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30?,37-,38+,39?,40-,41?,44+,45-/m0/s1
InChIKey PMDYNLFGCCRGRX-HUWTXDSUSA-N
Literature Reference Author N.I.BAEK,M.S.CHUNG,L.SHAMON,L.B.S.KARDONO,S.TSAURI,K.PADMAWI NATA,J.M.PEZZUTO,D.D
Literature Reference Citation J.NAT.PROD.,56,1532(1993)
Literature Reference DOI 10.1021/np50099a011
Molecular Weight 816.772 g/mol
Solvent ACETONE-D6
Source File Reference UWPR2027