| SpectraBase Compound ID | 3V38qiQid2 |
|---|---|
| InChI | InChI=1S/C39H58O3/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/h9-10,12-14,29-32,40H,11,15-25H2,1-8H3/t29?,30?,31?,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | XIVVFNWOZPZEIW-ITMZFWJCSA-N |
| Mol Weight | 574.9 g/mol |
| Molecular Formula | C39H58O3 |
| Exact Mass | 574.438596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSAzN7BG6zG |
|---|---|
| Name | 3-O-DIHYDRO-COUMAROYL-BETA-AMYRIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O3 |
| InChI | InChI=1S/C39H58O3/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/h9-10,12-14,29-32,40H,11,15-25H2,1-8H3/t29?,30?,31?,32-,36+,37-,38+,39+/m0/s1 |
| InChIKey | XIVVFNWOZPZEIW-ITMZFWJCSA-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 | 574.888 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWUC374 |