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Dioscin
SpectraBase Compound ID GHq8Z3MTlyC
InChI InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1
InChIKey VNONINPVFQTJOC-JSOTTYEMSA-N
Mol Weight 869.1 g/mol
Molecular Formula C45H72O16
Exact Mass 868.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RkZhRVoOls
Name DIOSCIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O16
InChI InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1
InChIKey VNONINPVFQTJOC-JSOTTYEMSA-N
Literature Reference Author T.LIN,H.L.HUANG,R.H.LIU,J.C.SHU,G.REN,F.SHAO,L.S.LIU
Literature Reference Citation MAGN.RES.CHEM.,50,813(2012)
Literature Reference DOI 10.1002/mrc.3883
Molecular Weight 869.057 g/mol
Solvent CD3OD
Source File Reference UWLU82413