| SpectraBase Compound ID | 4LwJy6EDGSu |
|---|---|
| InChI | InChI=1S/C22H26O9/c1-9-7-13(25)15-10(2)8-14(29-19(26)21(5,28)11(3)23)17-18(16(9)15)30-20(27)22(17,6)31-12(4)24/h7,14,16-18,28H,8H2,1-6H3/t14-,16+,17+,18-,21?,22-/m0/s1 |
| InChIKey | DZMQOTRZCJPNSY-ZYXFFYBBSA-N |
| Mol Weight | 434.44 g/mol |
| Molecular Formula | C22H26O9 |
| Exact Mass | 434.157682 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IA3StD4zmwK |
|---|---|
| Name | Ferupennin F |
| Appearance | amorphous powder |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O9 |
| InChI | InChI=1S/C22H26O9/c1-9-7-13(25)15-10(2)8-14(29-19(26)21(5,28)11(3)23)17-18(16(9)15)30-20(27)22(17,6)31-12(4)24/h7,14,16-18,28H,8H2,1-6H3/t14-,16+,17+,18-,21?,22-/m0/s1 |
| InChIKey | DZMQOTRZCJPNSY-ZYXFFYBBSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020014d |
| Molecular Weight | 434.441 g/mol |
| Optical Rotation | [a]D = +4.0 (c = 0.8, CHCl3) |
| Reported Formula | C22H26O9 |
| SMILES | OC(C(O[C@@]1([C@@]2([C@]([C@]3(C(=C(C1)C)C(C=C3C)=O)[H])(OC([C@]2(OC(=O)C)C)=O)[H])[H])[H])=O)(C(C)=O)C |
| SPLASH | splash10-00dl-9422300000-f1ecca37216fcb4d963c |
| Source of Spectrum | G4-65-1901-6 |
| Wiley ID | 1883534 |