| SpectraBase Compound ID | LlFWejCJ4ik |
|---|---|
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,38H,11-12,15-16,23H2,1-7H3/b22-17+/t24?,25-,26-,30+,31+,32-,33+,34+,35+,37-/m1/s1 |
| InChIKey | XREIVFCKWQHCIF-VBSANXIUSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C37H52O9 |
| Exact Mass | 640.361133 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FgXGWvjHUOd |
|---|---|
| Name | 5-O-(4'-Methoxybenzyl)-4-demethyl-3-O-methyl-4-episoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O9 |
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,38H,11-12,15-16,23H2,1-7H3/b22-17+/t24?,25-,26-,30+,31+,32-,33+,34+,35+,37-/m1/s1 |
| InChIKey | XREIVFCKWQHCIF-VBSANXIUSA-N |
| Molecular Weight | 640.814 g/mol |
| SMILES | O[C@@]1([C@@]2(O[C@]([C@@](C)([C@@]1(OCc1ccc(cc1)OC)[H])[H])(C(\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])C)[H])OC)[H] |
| SPLASH | splash10-00di-3900000000-a5622f10eac4e324982c |
| Source of Spectrum | U-1997-248-5 |
| Wiley ID | 769360 |