| SpectraBase Compound ID | z6L9dcV9Zy |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-23-16-21-29(40-9)28(39-8)14-12-13-15-30(35(4,5)6)44-34(37)25(3)36(42-11)33(41-10)32(24(2)31(23)45-36)43-22-26-17-19-27(38-7)20-18-26/h16-21,23-25,28-33H,12-15,22H2,1-11H3/b21-16+/t23-,24+,25+,28-,29+,30-,31-,32-,33+,36+/m0/s1 |
| InChIKey | SDVFJGYJAKPZAQ-YYAWBKSHSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6bXtA1OTluR |
|---|---|
| Name | (17S)-17-(t-Butyl)-17-desphenyl-5-O-(4'-methoxybenzyl)-3-O-methylsoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-23-16-21-29(40-9)28(39-8)14-12-13-15-30(35(4,5)6)44-34(37)25(3)36(42-11)33(41-10)32(24(2)31(23)45-36)43-22-26-17-19-27(38-7)20-18-26/h16-21,23-25,28-33H,12-15,22H2,1-11H3/b21-16+/t23-,24+,25+,28-,29+,30-,31-,32-,33+,36+/m0/s1 |
| InChIKey | SDVFJGYJAKPZAQ-YYAWBKSHSA-N |
| Molecular Weight | 634.851 g/mol |
| SMILES | [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]1(C)[H])=O)(C(C)(C)C)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(OC)cc1)[H])(OC)[H])OC |
| SPLASH | splash10-00di-0900000000-77d1b073065aa6e8d672 |
| Source of Spectrum | U-1995-813-21 |
| Wiley ID | 766746 |