| SpectraBase Compound ID | Ga00kLD0Ub9 |
|---|---|
| InChI | InChI=1S/C21H24O8/c1-9(2)18(24)27-14-7-10(3)15-13(23)8-11(4)21(15,29-12(5)22)17-16(14)20(6,26)19(25)28-17/h8,14,16-17,26H,1,7H2,2-6H3/t14-,16+,17+,20-,21-/m0/s1 |
| InChIKey | DXHIVNWIHOBUGD-HWKVVRSWSA-N |
| Mol Weight | 404.42 g/mol |
| Molecular Formula | C21H24O8 |
| Exact Mass | 404.147118 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8AjlsCYsEgT |
|---|---|
| Name | Ferupennin N |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24O8 |
| InChI | InChI=1S/C21H24O8/c1-9(2)18(24)27-14-7-10(3)15-13(23)8-11(4)21(15,29-12(5)22)17-16(14)20(6,26)19(25)28-17/h8,14,16-17,26H,1,7H2,2-6H3/t14-,16+,17+,20-,21-/m0/s1 |
| InChIKey | DXHIVNWIHOBUGD-HWKVVRSWSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020014d |
| Molecular Weight | 404.415 g/mol |
| Optical Rotation | [a]D = +99.3 (c = 1.5, CHCl3) |
| Reported Formula | C21H24O8 |
| SMILES | O[C@]1([C@]2([C@]([C@]3(C(=C(C[C@@]2(OC(C(=C)C)=O)[H])C)C(C=C3C)=O)OC(C)=O)(OC1=O)[H])[H])C |
| SPLASH | splash10-01y6-7393100000-bf19ec379f7bee52f05c |
| Source of Spectrum | G4-65-1902-14 |
| Wiley ID | 1883525 |