| SpectraBase Compound ID | 4OhzfQiUzd |
|---|---|
| InChI | InChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20+,23?,26+,27-,29-,30-,31+,32?/m1/s1 |
| InChIKey | RHNVFPUACKXTEQ-LEAFEPLESA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C32H40O10 |
| Exact Mass | 584.262147 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KDp6cU2eMP5 |
|---|---|
| Name | Ruagenin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H40O10 |
| InChI | InChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20+,23?,26+,27-,29-,30-,31+,32?/m1/s1 |
| InChIKey | RHNVFPUACKXTEQ-LEAFEPLESA-N |
| Molecular Weight | 584.662 g/mol |
| SMILES | O[C@@]12[C@@]3(C4(O3)[C@@]([C@@](C1=O)([C@](C(C)(C)[C@@]2(OC(\C(=C\C)C)=O)[H])(CC(=O)OC)[H])C)(CC[C@@]1([C@@]4(CC(OC1c1cocc1)=O)[H])C)[H])[H] |
| SPLASH | splash10-053r-9100000000-4a0ad47087e209d8f023 |
| Source of Spectrum | G4-59-546-4 |
| Wiley ID | 1606338 |