| SpectraBase Compound ID | Iv2kxsrCXxr |
|---|---|
| InChI | InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-7-11(3)16-14(25)8-13(9-23)17(16)19-18(15)22(5,21(27)29-19)30-12(4)24/h6,8,15,17-19,23H,7,9H2,1-5H3/b10-6-/t15-,17+,18+,19-,22-/m0/s1 |
| InChIKey | DITPMESACDRAQN-DJKCKTGRSA-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 | Gn1s7UDAD7b |
|---|---|
| Name | Ferupennin I |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O8 |
| InChI | InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-7-11(3)16-14(25)8-13(9-23)17(16)19-18(15)22(5,21(27)29-19)30-12(4)24/h6,8,15,17-19,23H,7,9H2,1-5H3/b10-6-/t15-,17+,18+,19-,22-/m0/s1 |
| InChIKey | DITPMESACDRAQN-DJKCKTGRSA-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 = +0.8 (c = 0.8, CHCl3) |
| Reported Formula | C22H26O8 |
| SMILES | OCC=1[C@@]2(C(=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(C1)=O)[H] |
| SPLASH | splash10-0159-6595600000-32749c122270cb01e2ea |
| Source of Spectrum | G4-65-1901-9 |
| Wiley ID | 1883537 |