| SpectraBase Compound ID | 8BPD6X4aXDc |
|---|---|
| InChI | InChI=1S/C39H56O9/c1-25-14-19-30(20-15-25)32-12-10-11-13-33(42-6)34(43-7)23-16-26(2)35-27(3)36(46-24-29-17-21-31(41-5)22-18-29)37(44-8)39(45-9,48-35)28(4)38(40)47-32/h14-23,26-28,32-37H,10-13,24H2,1-9H3/b23-16+/t26-,27+,28+,32+,33-,34+,35-,36-,37+,39+/m0/s1 |
| InChIKey | XQWCVPZQRGVYMC-XPMCQLDNSA-N |
| Mol Weight | 668.9 g/mol |
| Molecular Formula | C39H56O9 |
| Exact Mass | 668.392433 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8YQRHxWoK5u |
|---|---|
| Name | (17R)-17-Desphenyl-5-O-(4'-methoxybenzyl)-3-O-methyl-17-(4'-methylphenyl)soraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H56O9 |
| InChI | InChI=1S/C39H56O9/c1-25-14-19-30(20-15-25)32-12-10-11-13-33(42-6)34(43-7)23-16-26(2)35-27(3)36(46-24-29-17-21-31(41-5)22-18-29)37(44-8)39(45-9,48-35)28(4)38(40)47-32/h14-23,26-28,32-37H,10-13,24H2,1-9H3/b23-16+/t26-,27+,28+,32+,33-,34+,35-,36-,37+,39+/m0/s1 |
| InChIKey | XQWCVPZQRGVYMC-XPMCQLDNSA-N |
| Molecular Weight | 668.868 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)(c1ccc(cc1)C)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])OC |
| SPLASH | splash10-00di-0910000000-e0f3d02bf4c8d6f38547 |
| Source of Spectrum | U-1995-813-21 |
| Wiley ID | 766741 |