John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9Q9rRTyhtVC SpectraBase Spectrum ID=11EJLtgmipE

(accessed ).
TRIPTONINE-A;7,11-[1'-[(METHOXY-CARBONYL)-METHYL]-5-METHYL-2'-OXO-PENTANE-1',5'-DI-CARBOXYLIC-ACID]-DI-CARBO-LACTONE-7-DE-OXO-11-DE-ACETOXY-EVONINE
SpectraBase Compound ID 9Q9rRTyhtVC
InChI InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19?,20?,21?,27?,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1
InChIKey GHLDKPNDMMVFDQ-JYLSQFPWSA-N
Mol Weight 945.9 g/mol
Molecular Formula C45H55NO21
Exact Mass 945.326658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11EJLtgmipE
Name TRIPTONINE-A;7,11-[1'-[(METHOXY-CARBONYL)-METHYL]-5-METHYL-2'-OXO-PENTANE-1',5'-DI-CARBOXYLIC-ACID]-DI-CARBO-LACTONE-7-DE-OXO-11-DE-ACETOXY-EVONINE
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H55NO21
InChI InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19?,20?,21?,27?,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1
InChIKey GHLDKPNDMMVFDQ-JYLSQFPWSA-N
Literature Reference Author H.DUAN,Y.TAKAISHI,Y.IMAKURA,Y.JIA,D.LI,L.M.COSENTINO,K.H.LEE
Literature Reference Citation J.NAT.PROD.,63,357(2000)
Literature Reference DOI 10.1021/np990281s
Molecular Weight 945.926 g/mol
Solvent CDCl3
SpectraBase Batch ID 57wt7ZdAZ46