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NEOOLEUROPEIN-OCTAACETATE
SpectraBase Compound ID 6ttYJSsuZG1
InChI InChI=1S/C48H54O23/c1-10-34-35(21-42(57)59-17-15-32-11-13-37(63-25(3)50)39(19-32)65-27(5)52)36(46(58)60-18-16-33-12-14-38(64-26(4)51)40(20-33)66-28(6)53)22-62-47(34)71-48-45(69-31(9)56)44(68-30(8)55)43(67-29(7)54)41(70-48)23-61-24(2)49/h10-14,19-20,22,35,41,43-45,47-48H,15-18,21,23H2,1-9H3/b34-10-/t35-,41-,43-,44+,45-,47-,48+/m1/s1
InChIKey QKNAEFINYBPVSV-UEWDDPPPSA-N
Mol Weight 998.9 g/mol
Molecular Formula C48H54O23
Exact Mass 998.305588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALTtGqf2jL3
Name NEOOLEUROPEIN-OCTAACETATE
Compound Number 161
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H54O23
InChI InChI=1S/C48H54O23/c1-10-34-35(21-42(57)59-17-15-32-11-13-37(63-25(3)50)39(19-32)65-27(5)52)36(46(58)60-18-16-33-12-14-38(64-26(4)51)40(20-33)66-28(6)53)22-62-47(34)71-48-45(69-31(9)56)44(68-30(8)55)43(67-29(7)54)41(70-48)23-61-24(2)49/h10-14,19-20,22,35,41,43-45,47-48H,15-18,21,23H2,1-9H3/b34-10-/t35-,41-,43-,44+,45-,47-,48+/m1/s1
InChIKey QKNAEFINYBPVSV-UEWDDPPPSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,54,1173(1991)
Literature Reference DOI 10.1021/np50077a001
Molecular Weight 998.943 g/mol
Solvent CDCl3
Source File Reference UWCS4532