SpectraBase Compound ID | 2irgjxFSsuQ |
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InChI | InChI=1S/C31H34O15/c1-29-11-19(34)16-10-31(29,30(16,28(41-2)46-29)13-43-25(39)14-6-4-3-5-7-14)45-27-24(38)23(37)22(36)20(44-27)12-42-26(40)15-8-17(32)21(35)18(33)9-15/h3-9,16,20,22-24,27-28,32-33,35-38H,10-13H2,1-2H3/t16-,20-,22-,23+,24-,27+,28-,29-,30+,31-/m0/s1 |
InChIKey | MCPINUIKOMHPEA-RPKFEPGOSA-N |
Mol Weight | 646.6 g/mol |
Molecular Formula | C31H34O15 |
Exact Mass | 646.18977 g/mol |
SpectraBase Spectrum ID | kNCokqozSX |
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Name | PAEONIDANIN_B;6'-O-GALLOYLPAEONIDANIN |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H34O15 |
InChI | InChI=1S/C31H34O15/c1-29-11-19(34)16-10-31(29,30(16,28(41-2)46-29)13-43-25(39)14-6-4-3-5-7-14)45-27-24(38)23(37)22(36)20(44-27)12-42-26(40)15-8-17(32)21(35)18(33)9-15/h3-9,16,20,22-24,27-28,32-33,35-38H,10-13H2,1-2H3/t16-,20-,22-,23+,24-,27+,28-,29-,30+,31-/m0/s1 |
InChIKey | MCPINUIKOMHPEA-RPKFEPGOSA-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 | 646.602 g/mol |
Sample ID | 33463 |
Solvent | CD3OD |