| SpectraBase Compound ID | GDFHHNGCo9z |
|---|---|
| InChI | InChI=1S/C39H56O3/c1-34(2)21-22-36(5)23-24-38(7)28(29(36)25-34)14-15-31-37(6)19-18-32(35(3,4)30(37)17-20-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-14,16,29-32,40H,15,17-25H2,1-8H3/b16-11+/t29?,30?,31?,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | FFDJUOCBIYIQHJ-JCYDTPMASA-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 | Bqkz9GfNW00 |
|---|---|
| Name | 3-O-(E)-COUMAROYL-BETA-AMYRIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O3 |
| InChI | InChI=1S/C39H56O3/c1-34(2)21-22-36(5)23-24-38(7)28(29(36)25-34)14-15-31-37(6)19-18-32(35(3,4)30(37)17-20-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-14,16,29-32,40H,15,17-25H2,1-8H3/b16-11+/t29?,30?,31?,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | FFDJUOCBIYIQHJ-JCYDTPMASA-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 | 572.872 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWUC372 |