| SpectraBase Compound ID | 8hikHFQ2ngb |
|---|---|
| InChI | InChI=1S/C52H62O9/c1-34(2)17-14-21-37(5)31-42(32-38(6)28-30-46-50(59-41(9)54)44-24-11-13-26-48(44)61-52(46)56)57-33-39(7)22-16-19-35(3)18-15-20-36(4)27-29-45-49(58-40(8)53)43-23-10-12-25-47(43)60-51(45)55/h10-13,17-18,22-28,31,42H,14-16,19-21,29-30,32-33H2,1-9H3/b35-18+,36-27+,37-31+,38-28+,39-22+/t42-/m0/s1 |
| InChIKey | XCPNYNZCJJIHIS-SHPGQIHDSA-N |
| Mol Weight | 831.1 g/mol |
| Molecular Formula | C52H62O9 |
| Exact Mass | 830.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Zvp1QobFxQ |
|---|---|
| Name | 4,4'-DIACETYL-FERULENOLOXYFERULENOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H62O9 |
| InChI | InChI=1S/C52H62O9/c1-34(2)17-14-21-37(5)31-42(32-38(6)28-30-46-50(59-41(9)54)44-24-11-13-26-48(44)61-52(46)56)57-33-39(7)22-16-19-35(3)18-15-20-36(4)27-29-45-49(58-40(8)53)43-23-10-12-25-47(43)60-51(45)55/h10-13,17-18,22-28,31,42H,14-16,19-21,29-30,32-33H2,1-9H3/b35-18+,36-27+,37-31+,38-28+,39-22+/t42-/m0/s1 |
| InChIKey | XCPNYNZCJJIHIS-SHPGQIHDSA-N |
| Literature Reference Author | D.LAMNAOUER,O.FRAIGUI,M.T.MARTIN,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,30,2383(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83654-4 |
| Molecular Weight | 831.059 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25247 |