| SpectraBase Compound ID | LmadzbF4uXE |
|---|---|
| InChI | InChI=1S/C36H50O8/c1-25(35-27(3)34(24-43-35)42-23-28-17-19-30(39-4)20-18-28)16-21-33(41-6)32(40-5)15-11-10-14-31(29-12-8-7-9-13-29)44-36(38)26(2)22-37/h7-9,12-13,16-22,25,27,31-35,37H,10-11,14-15,23-24H2,1-6H3/b21-16+,26-22+/t25?,27-,31-,32-,33+,34+,35-/m0/s1 |
| InChIKey | MPYGCPKXNSXMKY-PYKDSMBESA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C36H50O8 |
| Exact Mass | 610.350569 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K9MR7fisDSM |
|---|---|
| Name | 4-Demethoxy-2,3-dihydro-4,7-epoxy-5-O-(4'-methoxybenzyl)-secosoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H50O8 |
| InChI | InChI=1S/C36H50O8/c1-25(35-27(3)34(24-43-35)42-23-28-17-19-30(39-4)20-18-28)16-21-33(41-6)32(40-5)15-11-10-14-31(29-12-8-7-9-13-29)44-36(38)26(2)22-37/h7-9,12-13,16-22,25,27,31-35,37H,10-11,14-15,23-24H2,1-6H3/b21-16+,26-22+/t25?,27-,31-,32-,33+,34+,35-/m0/s1 |
| InChIKey | MPYGCPKXNSXMKY-PYKDSMBESA-N |
| Molecular Weight | 610.788 g/mol |
| SMILES | O\C=C\(C(O[C@](c1ccccc1)(CCCC[C@@]([C@@](\C=C\C([C@@]1(OC[C@]([C@@]1(C)[H])(OCc1ccc(cc1)OC)[H])[H])C)(OC)[H])(OC)[H])[H])=O)C |
| SPLASH | splash10-00di-3900000000-8c3cc49b9d1b9507d2b7 |
| Source of Spectrum | U-1997-250-16 |
| Wiley ID | 769351 |