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SARCODONIN-PERACETATE
SpectraBase Compound ID KYe3ZWDuYo0
InChI InChI=1S/C44H46N2O18/c1-12-21(3)37-42(61-28(10)52)46(55)44(22(4)13-2,43(54)45(37)63-29(11)53)62-34-20-31(16-19-33(34)64-46)36-40(59-26(8)50)38(57-24(6)48)35(30-14-17-32(18-15-30)56-23(5)47)39(58-25(7)49)41(36)60-27(9)51/h14-22H,12-13H2,1-11H3/t21-,22+,44-,46+/m1/s1
InChIKey XJNAEQGZDXDILG-YNVCXXLISA-N
Mol Weight 890.8 g/mol
Molecular Formula C44H46N2O18
Exact Mass 890.274563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdEK955cjfV
Name SARCODONIN-PERACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46N2O18
InChI InChI=1S/C44H46N2O18/c1-12-21(3)37-42(61-28(10)52)46(55)44(22(4)13-2,43(54)45(37)63-29(11)53)62-34-20-31(16-19-33(34)64-46)36-40(59-26(8)50)38(57-24(6)48)35(30-14-17-32(18-15-30)56-23(5)47)39(58-25(7)49)41(36)60-27(9)51/h14-22H,12-13H2,1-11H3/t21-,22+,44-,46+/m1/s1
InChIKey XJNAEQGZDXDILG-YNVCXXLISA-N
Literature Reference Author C.GERACI,P.NERI,C.PATERNO,C.ROCCO,C.TRINGALI
Literature Reference Citation J.NAT.PROD.,63,347(2000)
Literature Reference DOI 10.1021/np990293d
Molecular Weight 890.852 g/mol
Solvent CDCl3
Source File Reference UWRU1816