| SpectraBase Compound ID | EggHBhJvGIC |
|---|---|
| InChI | InChI=1S/C48H40O17/c1-61-33(57)16-26-34-28(54)17-29(55)36(45(34)62-43(41(26)58)19-2-8-22(49)9-3-19)39-37-30(56)18-32-38(46(37)63-44(42(39)59)20-4-10-23(50)11-5-20)40-35-27(53)14-25(52)15-31(35)64-48(65-32,47(40)60)21-6-12-24(51)13-7-21/h2-15,17-18,26,39-44,47,49-56,58-60H,16H2,1H3/t26-,39-,40+,41+,42+,43+,44+,47+,48-/m0/s1 |
| InChIKey | IOFWUQDMMUNONY-FUONIXDASA-N |
| Mol Weight | 888.8 g/mol |
| Molecular Formula | C48H40O17 |
| Exact Mass | 888.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwKBHY6rv6Y |
|---|---|
| Name | SELLIGUEAIN-B;EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H40O17 |
| InChI | InChI=1S/C48H40O17/c1-61-33(57)16-26-34-28(54)17-29(55)36(45(34)62-43(41(26)58)19-2-8-22(49)9-3-19)39-37-30(56)18-32-38(46(37)63-44(42(39)59)20-4-10-23(50)11-5-20)40-35-27(53)14-25(52)15-31(35)64-48(65-32,47(40)60)21-6-12-24(51)13-7-21/h2-15,17-18,26,39-44,47,49-56,58-60H,16H2,1H3/t26-,39-,40+,41+,42+,43+,44+,47+,48-/m0/s1 |
| InChIKey | IOFWUQDMMUNONY-FUONIXDASA-N |
| Literature Reference Author | N.I.BAEK,E.J.KENNELLY,L.B.S.KARNODO,S.TSAURI,K.PADMAWINATA,D .D.SOEJARTO,A.D.KING |
| Literature Reference Citation | PHYTOCHEM.,36,513(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97105-X |
| Molecular Weight | 888.835 g/mol |
| Solvent | ACETONE-D6:D2O=10:1 |
| Source File Reference | UWMS25616 |