| SpectraBase Compound ID | ICTdugKA35v |
|---|---|
| InChI | InChI=1S/C31H48O9/c1-20-12-17-26(35-6)25(34-5)11-9-10-18-38-30(32)22(3)31(37-8)29(36-7)28(21(2)27(20)40-31)39-19-23-13-15-24(33-4)16-14-23/h12-17,20-22,25-29H,9-11,18-19H2,1-8H3/b17-12+/t20-,21+,22+,25-,26+,27-,28-,29+,31+/m0/s1 |
| InChIKey | GBVQYXZYOYGDGX-PZZYVZEWSA-N |
| Mol Weight | 564.7 g/mol |
| Molecular Formula | C31H48O9 |
| Exact Mass | 564.329833 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AmjR7JvSvHz |
|---|---|
| Name | 17-Desphenyl-5-O-(4'-methoxybenzyl)-3-O-methyl-16-norsoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O9 |
| InChI | InChI=1S/C31H48O9/c1-20-12-17-26(35-6)25(34-5)11-9-10-18-38-30(32)22(3)31(37-8)29(36-7)28(21(2)27(20)40-31)39-19-23-13-15-24(33-4)16-14-23/h12-17,20-22,25-29H,9-11,18-19H2,1-8H3/b17-12+/t20-,21+,22+,25-,26+,27-,28-,29+,31+/m0/s1 |
| InChIKey | GBVQYXZYOYGDGX-PZZYVZEWSA-N |
| Molecular Weight | 564.716 g/mol |
| SMILES | [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCCCOC([C@]1(C)[H])=O)[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])OC |
| SPLASH | splash10-00di-0900000000-eeb95f4ea789a01ca67a |
| Source of Spectrum | U-1995-815-28 |
| Wiley ID | 766731 |