| SpectraBase Compound ID | 6TSXYcRZ6pU |
|---|---|
| InChI | InChI=1S/C46H54O21/c1-40-14-24(48)23-13-45(40,63-36-32(53)30(51)28(49)25(16-47)61-36)42(23,19-59-34(55)21-9-5-3-6-10-21)38(65-40)58-17-26-29(50)31(52)33(54)37(62-26)64-46-15-27-43(46,20-60-35(56)22-11-7-4-8-12-22)39-66-41(46,2)18-44(27,57)67-39/h3-12,23,25-33,36-39,47,49-54,57H,13-20H2,1-2H3/t23-,25-,26+,27+,28-,29+,30+,31-,32-,33+,36+,37-,38-,39+,40-,41-,42+,43-,44+,45-,46-/m0/s1 |
| InChIKey | FPEQOYMLKLIEMS-BXUIWJEPSA-N |
| Mol Weight | 942.9 g/mol |
| Molecular Formula | C46H54O21 |
| Exact Mass | 942.315759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmReaciTOku |
|---|---|
| Name | PAEONIDANIN_E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O21 |
| InChI | InChI=1S/C46H54O21/c1-40-14-24(48)23-13-45(40,63-36-32(53)30(51)28(49)25(16-47)61-36)42(23,19-59-34(55)21-9-5-3-6-10-21)38(65-40)58-17-26-29(50)31(52)33(54)37(62-26)64-46-15-27-43(46,20-60-35(56)22-11-7-4-8-12-22)39-66-41(46,2)18-44(27,57)67-39/h3-12,23,25-33,36-39,47,49-54,57H,13-20H2,1-2H3/t23-,25-,26+,27+,28-,29+,30+,31-,32-,33+,36+,37-,38-,39+,40-,41-,42+,43-,44+,45-,46-/m0/s1 |
| InChIKey | FPEQOYMLKLIEMS-BXUIWJEPSA-N |
| Literature Reference Author | W.J.DUAN,J.Y.YANG,L.X.CHEN,L.J.ZHANG,Z.H.JIANG,X.D.CAI,X.ZHA NG,F.QIU |
| Literature Reference Citation | J.NAT.PROD.,72,1579(2009) |
| Literature Reference DOI | 10.1021/np9001898 |
| Molecular Weight | 942.922 g/mol |
| Sample ID | 33466 |
| Solvent | CD3OD |