| SpectraBase Compound ID | 2zIERMJWGht |
|---|---|
| InChI | InChI=1S/C38H58O9/c1-26(18-23-34(43-6)33(42-5)17-13-12-16-32(40)30-14-10-9-11-15-30)35-28(3)36(46-25-29-19-21-31(41-4)22-20-29)37(44-7)38(45-8,47-35)27(2)24-39/h9-11,14-15,18-23,26-28,32-37,39-40H,12-13,16-17,24-25H2,1-8H3/b23-18+/t26-,27+,28+,32-,33-,34+,35-,36-,37+,38?/m0/s1 |
| InChIKey | IBFXKDGPBKEVHX-FAPHUQAASA-N |
| Mol Weight | 658.9 g/mol |
| Molecular Formula | C38H58O9 |
| Exact Mass | 658.408083 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IJI9nQfqmK8 |
|---|---|
| Name | 5-O-(4'-Methoxybenzyl)-3-O-methyl-1,17-secosoraphen-1,17-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H58O9 |
| InChI | InChI=1S/C38H58O9/c1-26(18-23-34(43-6)33(42-5)17-13-12-16-32(40)30-14-10-9-11-15-30)35-28(3)36(46-25-29-19-21-31(41-4)22-20-29)37(44-7)38(45-8,47-35)27(2)24-39/h9-11,14-15,18-23,26-28,32-37,39-40H,12-13,16-17,24-25H2,1-8H3/b23-18+/t26-,27+,28+,32-,33-,34+,35-,36-,37+,38?/m0/s1 |
| InChIKey | IBFXKDGPBKEVHX-FAPHUQAASA-N |
| Molecular Weight | 658.873 g/mol |
| SMILES | O[C@@](CCCC[C@@]([C@@](\C=C\[C@@]([C@]1([C@]([C@@]([C@](C([C@@](CO)(C)[H])(O1)OC)(OC)[H])(OCc1ccc(OC)cc1)[H])(C)[H])[H])(C)[H])(OC)[H])(OC)[H])(c1ccccc1)[H] |
| SPLASH | splash10-0fk9-0900000000-eed06ddf546d0eeca93f |
| Source of Spectrum | U-1995-809-7 |
| Wiley ID | 766756 |