| SpectraBase Compound ID | Ibxzv5jmLLB |
|---|---|
| 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-SCHGQGCNSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ppqShhCnHw |
|---|---|
| Name | (17R)-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-SCHGQGCNSA-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-0900000000-1fbb3a62380b8740da42 |
| Source of Spectrum | U-1995-813-20 |
| Wiley ID | 766747 |