| SpectraBase Compound ID | 3ZgKxgyhI7J |
|---|---|
| InChI | InChI=1S/C39H56O4/c1-34(2)20-22-39(25-40)23-21-37(6)28(29(39)24-34)13-14-31-36(5)18-17-32(35(3,4)30(36)16-19-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-13,15,29-32,40-41H,14,16-25H2,1-7H3/b15-10+/t29?,30?,31?,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | JIHRTYNJAACOFO-ZLVLGDCSSA-N |
| Mol Weight | 588.9 g/mol |
| Molecular Formula | C39H56O4 |
| Exact Mass | 588.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3JJA6FSqfT |
|---|---|
| Name | 3-O-(E)-COUMAROYL-ERYTHRODIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O4 |
| InChI | InChI=1S/C39H56O4/c1-34(2)20-22-39(25-40)23-21-37(6)28(29(39)24-34)13-14-31-36(5)18-17-32(35(3,4)30(36)16-19-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-13,15,29-32,40-41H,14,16-25H2,1-7H3/b15-10+/t29?,30?,31?,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | JIHRTYNJAACOFO-ZLVLGDCSSA-N |
| Literature Reference Author | H.TAKAHASHI,M.IUCHI,Y.FUJITA,H.MINAMI,Y.FUKUYAMA |
| Literature Reference Citation | PHYTOCHEM.,51,543(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00070-9 |
| Molecular Weight | 588.871 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC375 |