| SpectraBase Compound ID | 2sz22Uk0wMz |
|---|---|
| InChI | InChI=1S/C25H40O5/c1-15(2)6-5-7-18(13-29-25-24(28)23(27)22(26)14-30-25)20-11-9-17(4)19-10-8-16(3)12-21(19)20/h6,12,18-28H,4-5,7-11,13-14H2,1-3H3/t18?,19-,20+,21-,22-,23+,24-,25-/m1/s1 |
| InChIKey | YSKUIUKSUFDDDK-VFFCNTEFSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C25H40O5 |
| Exact Mass | 420.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8kg2BNftMkk |
|---|---|
| Name | Lemnaflavoside |
| Appearance | Amorphous material |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O5 |
| InChI | InChI=1S/C25H40O5/c1-15(2)6-5-7-18(13-29-25-24(28)23(27)22(26)14-30-25)20-11-9-17(4)19-10-8-16(3)12-21(19)20/h6,12,18-28H,4-5,7-11,13-14H2,1-3H3/t18?,19-,20+,21-,22-,23+,24-,25-/m1/s1 |
| InChIKey | YSKUIUKSUFDDDK-VFFCNTEFSA-N |
| Instrument Name | Fisons Autospec Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0201016 |
| Molecular Weight | 420.590 g/mol |
| Optical Rotation | [a]D = +12 (c = 0.9, MeOH) |
| Reported Formula | C20H40O5 |
| SMILES | O[C@]1([C@@](OC[C@]([C@@]1(O)[H])(O)[H])(OCC([C@@]1(CCC([C@]2(CCC(=C[C@@]12[H])C)[H])=C)[H])CCC=C(C)C)[H])[H] |
| SPLASH | splash10-0f79-0190000000-b1eb0d79634faa15f048 |
| Source of Spectrum | G4-65-1674-1 |
| Wiley ID | 1883443 |