| SpectraBase Compound ID | GXyQIlcwx0k |
|---|---|
| InChI | InChI=1S/C29H37NO3/c1-19-7-6-8-26-28(19,3)14-13-20(2)29(26,4)17-22-15-23(31)16-25(27(22)32)30-18-21-9-11-24(33-5)12-10-21/h7,9-12,15-16,20,26,30H,6,8,13-14,17-18H2,1-5H3/t20-,26+,28+,29+/m0/s1 |
| InChIKey | GIBSHEIHPNKKHK-BGRIWLGQSA-N |
| Mol Weight | 447.6 g/mol |
| Molecular Formula | C29H37NO3 |
| Exact Mass | 447.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 18chRh788O |
|---|---|
| Name | 3'-p-methoxybenzylaminoavarone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO3 |
| InChI | InChI=1S/C29H37NO3/c1-19-7-6-8-26-28(19,3)14-13-20(2)29(26,4)17-22-15-23(31)16-25(27(22)32)30-18-21-9-11-24(33-5)12-10-21/h7,9-12,15-16,20,26,30H,6,8,13-14,17-18H2,1-5H3/t20-,26+,28+,29+/m0/s1 |
| InChIKey | GIBSHEIHPNKKHK-BGRIWLGQSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 447.619 g/mol |
| Optical Rotation | [a]25D = -58.2 (c = 0.009, CHCl3) |
| Reported Formula | C29H37NO3 |
| SMILES | N(C1=CC(C=C(C[C@@]2([C@](CC[C@]3([C@]2(CCC=C3C)[H])C)(C)[H])C)C1=O)=O)Cc1ccc(cc1)OC |
| SPLASH | splash10-05fr-0930100000-889b175bb1f4d642284c |
| Source of Spectrum | G4-67-1462-15 |
| Wiley ID | 1884064 |