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CINCHONAIN-IIB-PERACETATE

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CINCHONAIN-IIB-PERACETATE
SpectraBase Compound ID 5cA9O7twS5u
InChI InChI=1S/C61H54O26/c1-25(62)74-41-15-12-36(18-45(41)78-29(5)66)39-22-52(73)85-48-24-50(82-33(9)70)55-56(61(84-35(11)72)58(87-60(55)53(39)48)38-14-17-43(76-27(3)64)47(20-38)80-31(7)68)54-49(81-32(8)69)23-44(77-28(4)65)40-21-51(83-34(10)71)57(86-59(40)54)37-13-16-42(75-26(2)63)46(19-37)79-30(6)67/h12-20,23-24,39,51,56-58,61H,21-22H2,1-11H3/t39-,51-,56+,57-,58-,61-/m1/s1
InChIKey JOUMECQZCSHDEH-JUTYKJTRSA-N
Mol Weight 1203.1 g/mol
Molecular Formula C61H54O26
Exact Mass 1202.290332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnuBDyrnKaz
Name CINCHONAIN-IIB-PERACETATE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H54O26
InChI InChI=1S/C61H54O26/c1-25(62)74-41-15-12-36(18-45(41)78-29(5)66)39-22-52(73)85-48-24-50(82-33(9)70)55-56(61(84-35(11)72)58(87-60(55)53(39)48)38-14-17-43(76-27(3)64)47(20-38)80-31(7)68)54-49(81-32(8)69)23-44(77-28(4)65)40-21-51(83-34(10)71)57(86-59(40)54)37-13-16-42(75-26(2)63)46(19-37)79-30(6)67/h12-20,23-24,39,51,56-58,61H,21-22H2,1-11H3/t39-,51-,56+,57-,58-,61-/m1/s1
InChIKey JOUMECQZCSHDEH-JUTYKJTRSA-N
Literature Reference Author F.O.RESENDE,E.RODRIGUES-FILHO,H.LUFTMANN,F.PETEREID,J.C.P.D. MELLO
Literature Reference Citation J.BRAZ.CHEM.SOC.,22,2087(2011)
Literature Reference DOI 10.1590/s0103-50532011001100010
Molecular Weight 1203.084 g/mol
Source File Reference UWBT5733