| SpectraBase Compound ID | KAWOjACa7C8 |
|---|---|
| InChI | InChI=1S/C22H26O8/c1-7-10(2)19(25)28-15-8-11(3)16-14(24)9-12(4)22(16,27)18-17(15)21(6,20(26)29-18)30-13(5)23/h7,9,15,17-18,27H,8H2,1-6H3/b10-7-/t15-,17+,18+,21-,22-/m0/s1 |
| InChIKey | DOLGSWNTGPHAQN-XHGSNOJXSA-N |
| Mol Weight | 418.44 g/mol |
| Molecular Formula | C22H26O8 |
| Exact Mass | 418.162768 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LnyXybhB4DC |
|---|---|
| Name | Ferupennin M |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O8 |
| InChI | InChI=1S/C22H26O8/c1-7-10(2)19(25)28-15-8-11(3)16-14(24)9-12(4)22(16,27)18-17(15)21(6,20(26)29-18)30-13(5)23/h7,9,15,17-18,27H,8H2,1-6H3/b10-7-/t15-,17+,18+,21-,22-/m0/s1 |
| InChIKey | DOLGSWNTGPHAQN-XHGSNOJXSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020014d |
| Molecular Weight | 418.442 g/mol |
| Optical Rotation | [a]D = +12.6 (c = 0.7, CHCl3) |
| Reported Formula | C22H26O8 |
| SMILES | O[C@]12C(=C(C[C@@]([C@@]3([C@]2(OC([C@]3(OC(=O)C)C)=O)[H])[H])(OC(\C(=C/C)C)=O)[H])C)C(C=C1C)=O |
| SPLASH | splash10-0t90-0795000000-3cff8ef1884745aa38e5 |
| Source of Spectrum | G4-65-1902-13 |
| Wiley ID | 1883524 |