| SpectraBase Compound ID | BvTYuuKA1Ed |
|---|---|
| InChI | InChI=1S/C38H54O9/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/h9-11,14-15,18-24,26-28,33-37H,12-13,16-17,25H2,1-8H3/b23-18+/t26-,27+,28+,33-,34+,35-,36-,37+,38?/m0/s1 |
| InChIKey | YLMRWIZNXACVTC-OSZXZMBZSA-N |
| Mol Weight | 654.8 g/mol |
| Molecular Formula | C38H54O9 |
| Exact Mass | 654.376783 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J90eBKnFeXC |
|---|---|
| Name | 5-O-(4'-Methoxybenzyl)-3-O-methyl-17-oxo-1,17-secosoraphenal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O9 |
| InChI | InChI=1S/C38H54O9/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/h9-11,14-15,18-24,26-28,33-37H,12-13,16-17,25H2,1-8H3/b23-18+/t26-,27+,28+,33-,34+,35-,36-,37+,38?/m0/s1 |
| InChIKey | YLMRWIZNXACVTC-OSZXZMBZSA-N |
| Molecular Weight | 654.841 g/mol |
| SMILES | C1([C@@]([C@]([C@](C)([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCCCC(=O)c1ccccc1)[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])([C@@](C=O)(C)[H])OC |
| SPLASH | splash10-0002-0950000000-eb1964bb147e7a53eaf7 |
| Source of Spectrum | U-1995-809-8 |
| Wiley ID | 766755 |