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2''-O-Acetylsaikosaponin-A
SpectraBase Compound ID 4t9BkwjHg0o
InChI InChI=1S/C44H70O14/c1-22-30(49)34(58-37-35(55-23(2)47)32(51)31(50)24(19-45)56-37)33(52)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1
InChIKey SRKDRDBFLMDBPW-GXPBSCBUSA-N
Mol Weight 823.0 g/mol
Molecular Formula C44H70O14
Exact Mass 822.476557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx2UYhvH54P
Name 2''-O-ACETYL-SAIKOSAPONIN-A
Compound Number S10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O14
InChI InChI=1S/C44H70O14/c1-22-30(49)34(58-37-35(55-23(2)47)32(51)31(50)24(19-45)56-37)33(52)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36+,37+,39+,40+,41-,42+,43-,44+/m1/s1
InChIKey SRKDRDBFLMDBPW-GXPBSCBUSA-N
Literature Reference Author H.SETO,N.OTAKE,S.Q.LUO,F.G.QIAN,G.Y.XU,S.L.PAN
Literature Reference Citation AGR.BIOL.CHEM.,50,943(1986)
Literature Reference DOI 10.1271/bbb1961.50.943
Molecular Weight 823.031 g/mol
Solvent C5D5N
Source File Reference UWIR8147