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ZDJUMIPXCPLIMW-OGRITONJSA-N
SpectraBase Compound ID 4hfymJ8PNHL
InChI InChI=1S/C46H58N2O20/c1-6-18-21(23(40(57)60-4)16-62-43(18)67-45-38(55)36(53)34(51)28(14-49)65-45)12-26-32-30(20-10-8-9-11-25(20)47-32)31(33(48(26)3)42(59)61-5)27-13-22-19(7-2)44(63-17-24(22)41(58)64-27)68-46-39(56)37(54)35(52)29(15-50)66-46/h6-11,16-19,21-22,26-29,31,33-39,43-47,49-56H,1-2,12-15H2,3-5H3/t18-,19-,21+,22+,26+,27-,28+,29+,31-,33+,34+,35+,36-,37-,38+,39+,43+,44+,45-,46-/m1/s1
InChIKey ZDJUMIPXCPLIMW-OGRITONJSA-N
Mol Weight 959.0 g/mol
Molecular Formula C46H58N2O20
Exact Mass 958.358292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkyE4EeULup
Name ZDJUMIPXCPLIMW-OGRITONJSA-N
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H58N2O20
InChI InChI=1S/C46H58N2O20/c1-6-18-21(23(40(57)60-4)16-62-43(18)67-45-38(55)36(53)34(51)28(14-49)65-45)12-26-32-30(20-10-8-9-11-25(20)47-32)31(33(48(26)3)42(59)61-5)27-13-22-19(7-2)44(63-17-24(22)41(58)64-27)68-46-39(56)37(54)35(52)29(15-50)66-46/h6-11,16-19,21-22,26-29,31,33-39,43-47,49-56H,1-2,12-15H2,3-5H3/t18-,19-,21+,22+,26+,27-,28+,29+,31-,33+,34+,35+,36-,37-,38+,39+,43+,44+,45-,46-/m1/s1
InChIKey ZDJUMIPXCPLIMW-OGRITONJSA-N
Literature Reference Author A.ITOH,T.TANAHASHI,N.NAGAKURA,T.NISHI
Literature Reference Citation PHYTOCHEM.,62,359(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00541-1
Molecular Weight 958.968 g/mol
Solvent CD3OD
Source File Reference UWMS28388