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UNDECAACETYLEPIAFZELECHIN-(2-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-AFZELECHINE
SpectraBase Compound ID 4SrfpUE1LWc
InChI InChI=1S/C67H58O26/c1-29(68)79-43-18-12-40(13-19-43)61-54(87-37(9)76)26-47-48(83-33(5)72)27-50(85-35(7)74)56(63(47)90-61)59-57-51(86-36(8)75)28-53-58(64(57)91-62(65(59)88-38(10)77)41-14-20-44(21-15-41)80-30(2)69)60-55-49(84-34(6)73)24-46(82-32(4)71)25-52(55)92-67(93-53,66(60)89-39(11)78)42-16-22-45(23-17-42)81-31(3)70/h12-25,27-28,54,59-62,65-66H,26H2,1-11H3/t54?,59-,60+,61-,62?,65?,66+,67-/m0/s1
InChIKey CCFAOASFYYPRBV-ASFFMOGXSA-N
Mol Weight 1279.2 g/mol
Molecular Formula C67H58O26
Exact Mass 1278.321632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdZVs14Yaqw
Name UNDECAACETYLEPIAFZELECHIN-(2-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-AFZELECHINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H58O26
InChI InChI=1S/C67H58O26/c1-29(68)79-43-18-12-40(13-19-43)61-54(87-37(9)76)26-47-48(83-33(5)72)27-50(85-35(7)74)56(63(47)90-61)59-57-51(86-36(8)75)28-53-58(64(57)91-62(65(59)88-38(10)77)41-14-20-44(21-15-41)80-30(2)69)60-55-49(84-34(6)73)24-46(82-32(4)71)25-52(55)92-67(93-53,66(60)89-39(11)78)42-16-22-45(23-17-42)81-31(3)70/h12-25,27-28,54,59-62,65-66H,26H2,1-11H3/t54?,59-,60+,61-,62?,65?,66+,67-/m0/s1
InChIKey CCFAOASFYYPRBV-ASFFMOGXSA-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 1279.182 g/mol
Solvent CDCl3
Source File Reference UWPR2028