| SpectraBase Compound ID | HmFNUgS6hjm |
|---|---|
| InChI | InChI=1S/C37H42O6/c1-24-8-7-9-33-36(24,3)21-20-25(2)37(33,4)23-28-22-31(42-34(38)26-10-14-29(40-5)15-11-26)18-19-32(28)43-35(39)27-12-16-30(41-6)17-13-27/h8,10-19,22,25,33H,7,9,20-21,23H2,1-6H3/t25-,33+,36+,37+/m0/s1 |
| InChIKey | WGIDVLINLZGLGB-BVVLSNBPSA-N |
| Mol Weight | 582.7 g/mol |
| Molecular Formula | C37H42O6 |
| Exact Mass | 582.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ix4yehW8yK |
|---|---|
| Name | Di-p-methoxybenzoyl avarol |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H42O6 |
| InChI | InChI=1S/C37H42O6/c1-24-8-7-9-33-36(24,3)21-20-25(2)37(33,4)23-28-22-31(42-34(38)26-10-14-29(40-5)15-11-26)18-19-32(28)43-35(39)27-12-16-30(41-6)17-13-27/h8,10-19,22,25,33H,7,9,20-21,23H2,1-6H3/t25-,33+,36+,37+/m0/s1 |
| InChIKey | WGIDVLINLZGLGB-BVVLSNBPSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 582.737 g/mol |
| Optical Rotation | [a]D25 = +10.2 (c = 0.11, CHCl3) |
| Reported Formula | C37H42O6 |
| SMILES | C1C[C@@]2([C@@](C(=C1)C)(CC[C@@]([C@]2(Cc1c(ccc(c1)OC(c1ccc(cc1)OC)=O)OC(c1ccc(cc1)OC)=O)C)(C)[H])C)[H] |
| SPLASH | splash10-000f-0900000000-42b23f35b6825e002a53 |
| Source of Spectrum | G4-67-1461-4 |
| Wiley ID | 1884067 |