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CHIKUSETSUSAPONIN-IV-METHYLESTER
SpectraBase Compound ID 1mvwXB2W3cj
InChI InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23?,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,39+,40+,41-,45?,46?,47?,48+/m1/s1
InChIKey WJHDDPVZYYTSCO-YNEHQRJPSA-N
Mol Weight 941.1 g/mol
Molecular Formula C48H76O18
Exact Mass 940.503166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPgbaCIJ3PG
Name CHIKUSETSUSAPONIN-IV-METHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O18
InChI InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23?,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,39+,40+,41-,45?,46?,47?,48+/m1/s1
InChIKey WJHDDPVZYYTSCO-YNEHQRJPSA-N
Literature Reference Author S.SAKAI,M.KATSUMATA,Y.SATOH,M.NAGASAO,M.MIYAKOSHI,Y.IDA,J.SH OJI
Literature Reference Citation PHYTOCHEM.,35,1319(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94846-5
Molecular Weight 941.121 g/mol
Solvent C5D5N
Source File Reference UWMS24551