| SpectraBase Compound ID | 2z1dBDyUOkZ |
|---|---|
| InChI | InChI=1S/C39H56O3/c1-25-17-20-36(5)23-24-38(7)29(34(36)26(25)2)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-27-9-12-28(40)13-10-27/h9-14,16,25-26,30-32,34,40H,15,17-24H2,1-8H3/b16-11+/t25-,26+,30+,31-,32+,34+,36-,37+,38-,39-/m1/s1 |
| InChIKey | ZHTQRKCHGKTNLA-KUESFZIESA-N |
| Mol Weight | 572.9 g/mol |
| Molecular Formula | C39H56O3 |
| Exact Mass | 572.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPDaNT7SfnR |
|---|---|
| Name | 3-(E)-P-COUMAROYL-ALPHA-AMYRIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O3 |
| InChI | InChI=1S/C39H56O3/c1-25-17-20-36(5)23-24-38(7)29(34(36)26(25)2)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-27-9-12-28(40)13-10-27/h9-14,16,25-26,30-32,34,40H,15,17-24H2,1-8H3/b16-11+/t25-,26+,30+,31-,32+,34+,36-,37+,38-,39-/m1/s1 |
| InChIKey | ZHTQRKCHGKTNLA-KUESFZIESA-N |
| Literature Reference Author | L.G.PIERONI,F.M.DEREZENDE,V.F.XIMENES,A.L.DOKKEDAL |
| Literature Reference Citation | MOLECULES,16,9439(2011) |
| Literature Reference DOI | 10.3390/molecules16119439 |
| Molecular Weight | 572.872 g/mol |
| Sample ID | 378 |
| Solvent | DMSO-D6 |