| SpectraBase Compound ID | 7MdobKafeY5 |
|---|---|
| InChI | InChI=1S/C36H48O10/c1-22-16-21-30(43-6)29(42-5)15-11-10-14-28(25-12-8-7-9-13-25)44-34(38)24(3)36(40)33(37)32(23(2)31(22)46-36)45-35(39)26-17-19-27(41-4)20-18-26/h7-9,12-13,16-24,28-33,37,40H,10-11,14-15H2,1-6H3/b21-16+/t22?,23-,24-,28+,29+,30-,31+,32+,33+,36-/m1/s1 |
| InChIKey | OMUJXWMXWXALIF-LWRJQKFUSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C36H48O10 |
| Exact Mass | 640.324748 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GfAZQZoVEPA |
|---|---|
| Name | 5-O-(4'-Methoxybenzoyl)-4-demethyl-4-episoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H48O10 |
| InChI | InChI=1S/C36H48O10/c1-22-16-21-30(43-6)29(42-5)15-11-10-14-28(25-12-8-7-9-13-25)44-34(38)24(3)36(40)33(37)32(23(2)31(22)46-36)45-35(39)26-17-19-27(41-4)20-18-26/h7-9,12-13,16-24,28-33,37,40H,10-11,14-15H2,1-6H3/b21-16+/t22?,23-,24-,28+,29+,30-,31+,32+,33+,36-/m1/s1 |
| InChIKey | OMUJXWMXWXALIF-LWRJQKFUSA-N |
| Molecular Weight | 640.770 g/mol |
| SMILES | O[C@@]1([C@@]2(O[C@]([C@]([C@@]1(OC(c1ccc(OC)cc1)=O)[H])(C)[H])(C(\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])C)[H])O)[H] |
| SPLASH | splash10-059l-5900000000-c1bc625732852a649af3 |
| Source of Spectrum | U-1997-248-7 |
| Wiley ID | 769358 |