| SpectraBase Compound ID | B6NCxB6mk06 |
|---|---|
| InChI | InChI=1S/C22H26O8/c1-9-7-13(24)15-10(2)8-14(27-19(25)21(5)11(3)29-21)17-18(16(9)15)28-20(26)22(17,6)30-12(4)23/h7,11,14,16-18H,8H2,1-6H3/t11-,14-,16+,17+,18-,21+,22-/m0/s1 |
| InChIKey | YQABOFISFLOPAF-XMXVWJMJSA-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 | 5IZ8H0VWbY |
|---|---|
| Name | Ferupennin E |
| Appearance | amorphous powder |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O8 |
| InChI | InChI=1S/C22H26O8/c1-9-7-13(24)15-10(2)8-14(27-19(25)21(5)11(3)29-21)17-18(16(9)15)28-20(26)22(17,6)30-12(4)23/h7,11,14,16-18H,8H2,1-6H3/t11-,14-,16+,17+,18-,21+,22-/m0/s1 |
| InChIKey | YQABOFISFLOPAF-XMXVWJMJSA-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 = -2.7 (c = 0.4, CHCl3) |
| Reported Formula | C22H26O8 |
| SMILES | C1=2[C@]([C@]3([C@@]([C@](CC2C)(OC([C@]2([C@](C)(O2)[H])C)=O)[H])([C@@](C(O3)=O)(OC(=O)C)C)[H])[H])(C(=CC1=O)C)[H] |
| SPLASH | splash10-00kg-7981200000-b40715834d29c78952f7 |
| Source of Spectrum | G4-65-1901-5 |
| Wiley ID | 1883533 |