| SpectraBase Compound ID | FuhLel1cEXE |
|---|---|
| InChI | InChI=1S/C39H58O4/c1-34(2)29-18-22-39(8)30(15-14-28-33-27(35(3,4)42)17-20-36(33,5)23-24-38(28,39)7)37(29,6)21-19-31(34)43-32(41)16-11-25-9-12-26(40)13-10-25/h9-13,16,27-31,33,40,42H,14-15,17-24H2,1-8H3/b16-11+/t27-,28-,29+,30-,31+,33-,36-,37+,38-,39-/m1/s1 |
| InChIKey | DQFLZIDDGJOZFU-UFICKDJBSA-N |
| Mol Weight | 590.9 g/mol |
| Molecular Formula | C39H58O4 |
| Exact Mass | 590.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JChF5PZAUNe |
|---|---|
| Name | 3-BETA-O-TRANS-PARA-COUMAROYL-MONOGYNOL-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O4 |
| InChI | InChI=1S/C39H58O4/c1-34(2)29-18-22-39(8)30(15-14-28-33-27(35(3,4)42)17-20-36(33,5)23-24-38(28,39)7)37(29,6)21-19-31(34)43-32(41)16-11-25-9-12-26(40)13-10-25/h9-13,16,27-31,33,40,42H,14-15,17-24H2,1-8H3/b16-11+/t27-,28-,29+,30-,31+,33-,36-,37+,38-,39-/m1/s1 |
| InChIKey | DQFLZIDDGJOZFU-UFICKDJBSA-N |
| Literature Reference Author | A.ULUBELEN,G.TOPCU,H.LOTTER,H.WAGNER,C.ERIS |
| Literature Reference Citation | PHYTOCHEM.,36,413(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97086-9 |
| Molecular Weight | 590.887 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25206 |