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IIIYSIWSTCMYQC-MVZIJPBNSA-N
SpectraBase Compound ID 9sKRhcmxdR1
InChI InChI=1S/C44H72O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)5-10-44(56)19(2)30-27(63-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)26(47)16-58-39/h18-24,26-41,45,47-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,44?/m1/s1
InChIKey IIIYSIWSTCMYQC-MVZIJPBNSA-N
Mol Weight 905.0 g/mol
Molecular Formula C44H72O19
Exact Mass 904.46678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtOCPWgcxoS
Name IIIYSIWSTCMYQC-MVZIJPBNSA-N
Compound Number 99
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H72O19
InChI InChI=1S/C44H72O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)5-10-44(56)19(2)30-27(63-44)13-23-21-12-25(46)24-11-20(6-8-42(24,3)22(21)7-9-43(23,30)4)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)26(47)16-58-39/h18-24,26-41,45,47-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41-,42-,43+,44?/m1/s1
InChIKey IIIYSIWSTCMYQC-MVZIJPBNSA-N
Literature Reference Author P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK
Literature Reference Citation MAGN.RES.CHEM.,33,923(1995)
Literature Reference DOI 10.1002/mrc.1260331202
Molecular Weight 905.044 g/mol
Solvent C5D5N
Source File Reference UWCS22187