| SpectraBase Compound ID | KuvfNzedY0e |
|---|---|
| InChI | InChI=1S/C36H50O9/c1-23-16-21-31(42-6)30(41-5)15-11-10-14-29(27-12-8-7-9-13-27)44-35(38)25(3)36(39)34(37)33(24(2)32(23)45-36)43-22-26-17-19-28(40-4)20-18-26/h7-9,12-13,16-21,23-25,29-34,37,39H,10-11,14-15,22H2,1-6H3/b21-16+/t23?,24-,25-,29+,30+,31-,32+,33+,34+,36-/m1/s1 |
| InChIKey | JVEQMNLEKHNPAU-NDLPEJIQSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C36H50O9 |
| Exact Mass | 626.345483 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 87JWamNfjgT |
|---|---|
| Name | 5-O-(4'-Methoxybenzyl)-4-demethyl-4-episoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H50O9 |
| InChI | InChI=1S/C36H50O9/c1-23-16-21-31(42-6)30(41-5)15-11-10-14-29(27-12-8-7-9-13-27)44-35(38)25(3)36(39)34(37)33(24(2)32(23)45-36)43-22-26-17-19-28(40-4)20-18-26/h7-9,12-13,16-21,23-25,29-34,37,39H,10-11,14-15,22H2,1-6H3/b21-16+/t23?,24-,25-,29+,30+,31-,32+,33+,34+,36-/m1/s1 |
| InChIKey | JVEQMNLEKHNPAU-NDLPEJIQSA-N |
| Molecular Weight | 626.787 g/mol |
| SMILES | O[C@@]1([C@@]2(O[C@]([C@]([C@@]1(OCc1ccc(cc1)OC)[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 | splash10-00di-5900000000-24a751bc4c829cf2dfcb |
| Source of Spectrum | U-1997-248-6 |
| Wiley ID | 769359 |