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SELLIGUEAIN-B-PERACETATE;EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID-METHYLESTER-PERACETATE
SpectraBase Compound ID 47zIlsvCV3a
InChI InChI=1S/C70H62O28/c1-30(71)84-44-19-13-41(14-20-44)63-65(92-38(9)79)48(27-55(82)83-12)56-50(89-35(6)76)28-51(90-36(7)77)58(66(56)95-63)61-59-52(91-37(8)78)29-54-60(67(59)96-64(68(61)93-39(10)80)42-15-21-45(22-16-42)85-31(2)72)62-57-49(88-34(5)75)25-47(87-33(4)74)26-53(57)97-70(98-54,69(62)94-40(11)81)43-17-23-46(24-18-43)86-32(3)73/h13-26,28-29,48,61-65,68-69H,27H2,1-12H3/t48-,61-,62+,63+,64+,65+,68+,69+,70-/m0/s1
InChIKey XGVJMQDGJRJBBQ-LEGWHFHBSA-N
Mol Weight 1351.2 g/mol
Molecular Formula C70H62O28
Exact Mass 1350.342761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBNZxDhxZFk
Name SELLIGUEAIN-B-PERACETATE;EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID-METHYLESTER-PERACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H62O28
InChI InChI=1S/C70H62O28/c1-30(71)84-44-19-13-41(14-20-44)63-65(92-38(9)79)48(27-55(82)83-12)56-50(89-35(6)76)28-51(90-36(7)77)58(66(56)95-63)61-59-52(91-37(8)78)29-54-60(67(59)96-64(68(61)93-39(10)80)42-15-21-45(22-16-42)85-31(2)72)62-57-49(88-34(5)75)25-47(87-33(4)74)26-53(57)97-70(98-54,69(62)94-40(11)81)43-17-23-46(24-18-43)86-32(3)73/h13-26,28-29,48,61-65,68-69H,27H2,1-12H3/t48-,61-,62+,63+,64+,65+,68+,69+,70-/m0/s1
InChIKey XGVJMQDGJRJBBQ-LEGWHFHBSA-N
Literature Reference Author N.I.BAEK,E.J.KENNELLY,L.B.S.KARNODO,S.TSAURI,K.PADMAWINATA,D .D.SOEJARTO,A.D.KING
Literature Reference Citation PHYTOCHEM.,36,513(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97105-X
Molecular Weight 1351.245 g/mol
Solvent CDCl3
Source File Reference UWMS25618