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ACERIFOLIOSIDE
SpectraBase Compound ID 7JYleSkKXuR
InChI InChI=1S/C45H60O25/c1-7-18-20(23(38(56)59-4)14-62-41(18)69-44-36(54)34(52)32(50)27(12-46)66-44)10-29(48)65-26-9-22-25(40(58)61-6)16-64-43(31(22)17(26)3)68-30(49)11-21-19(8-2)42(63-15-24(21)39(57)60-5)70-45-37(55)35(53)33(51)28(13-47)67-45/h7-8,14-22,26-28,31-37,41-47,50-55H,1-2,9-13H2,3-6H3/t17-,18+,19-,20-,21+,22+,26-,27-,28+,31+,32-,33+,34+,35-,36-,37+,41-,42+,43-,44+,45-/m0/s1
InChIKey LVPHTDFQVCHITK-XSSQTIRWSA-N
Mol Weight 1000.9 g/mol
Molecular Formula C45H60O25
Exact Mass 1000.342367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tCzGw0H4EX
Name ACERIFOLIOSIDE
Compound Number 155
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H60O25
InChI InChI=1S/C45H60O25/c1-7-18-20(23(38(56)59-4)14-62-41(18)69-44-36(54)34(52)32(50)27(12-46)66-44)10-29(48)65-26-9-22-25(40(58)61-6)16-64-43(31(22)17(26)3)68-30(49)11-21-19(8-2)42(63-15-24(21)39(57)60-5)70-45-37(55)35(53)33(51)28(13-47)67-45/h7-8,14-22,26-28,31-37,41-47,50-55H,1-2,9-13H2,3-6H3/t17-,18+,19-,20-,21+,22+,26-,27-,28+,31+,32-,33+,34+,35-,36-,37+,41-,42+,43-,44+,45-/m0/s1
InChIKey LVPHTDFQVCHITK-XSSQTIRWSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,689(2007)
Literature Reference DOI 10.1248/cpb.55.689
Molecular Weight 1000.956 g/mol
Sample ID 37567
Solvent CD3OD