| SpectraBase Compound ID | H19BSUTMtXc |
|---|---|
| InChI | InChI=1S/C47H38O17/c48-21-7-1-18(2-8-21)42-40(58)25(15-32(56)57)33-27(53)16-28(54)35(44(33)61-42)38-36-29(55)17-31-37(45(36)62-43(41(38)59)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)63-47(64-31,46(39)60)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-55,58-60H,15H2,(H,56,57)/t25-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1 |
| InChIKey | FENBOJNMIIQIMX-WBXSQALJSA-N |
| Mol Weight | 874.8 g/mol |
| Molecular Formula | C47H38O17 |
| Exact Mass | 874.2109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSNOVTdYhdK |
|---|---|
| Name | EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H38O17 |
| InChI | InChI=1S/C47H38O17/c48-21-7-1-18(2-8-21)42-40(58)25(15-32(56)57)33-27(53)16-28(54)35(44(33)61-42)38-36-29(55)17-31-37(45(36)62-43(41(38)59)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)63-47(64-31,46(39)60)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-55,58-60H,15H2,(H,56,57)/t25-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1 |
| InChIKey | FENBOJNMIIQIMX-WBXSQALJSA-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 | 874.809 g/mol |
| Solvent | ACETONE-D6:D2O=10:1 |
| Source File Reference | UWMS25619 |