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XENRGXAMQUMJSY-WRKMQHDBSA-N
SpectraBase Compound ID Idd3YMkQ5qV
InChI InChI=1S/C46H77NO19/c1-8-16-31(50)17-14-12-10-9-11-13-15-18-35(52)64-43-42(66-45-40(57)39(56)36(53)27(4)61-45)41(65-44(58)25(2)26(3)48)28(5)62-46(43)63-34(23-47-30-19-21-32(59-7)22-20-30)38(55)37(54)33(51)24-60-29(6)49/h19-22,25-28,31,33-34,36-43,45-48,50-51,53-57H,8-18,23-24H2,1-7H3/t25-,26-,27-,28+,31+,33+,34-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+/m1/s1
InChIKey XENRGXAMQUMJSY-WRKMQHDBSA-N
Mol Weight 948.1 g/mol
Molecular Formula C46H77NO19
Exact Mass 947.508979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HUPyDem7Qs
Name XENRGXAMQUMJSY-WRKMQHDBSA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H77NO19
InChI InChI=1S/C46H77NO19/c1-8-16-31(50)17-14-12-10-9-11-13-15-18-35(52)64-43-42(66-45-40(57)39(56)36(53)27(4)61-45)41(65-44(58)25(2)26(3)48)28(5)62-46(43)63-34(23-47-30-19-21-32(59-7)22-20-30)38(55)37(54)33(51)24-60-29(6)49/h19-22,25-28,31,33-34,36-43,45-48,50-51,53-57H,8-18,23-24H2,1-7H3/t25-,26-,27-,28+,31+,33+,34-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+/m1/s1
InChIKey XENRGXAMQUMJSY-WRKMQHDBSA-N
Literature Reference Author K.MIYAHARA,X.M.DU,M.WATANABE,C.SUGIMURA,S.YAHARA,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,44,481(1996)
Literature Reference DOI 10.1248/cpb.44.481
Molecular Weight 948.113 g/mol
Solvent C5D5N
Source File Reference UWLU31424