| SpectraBase Compound ID | G5nITkAG5vm |
|---|---|
| InChI | InChI=1S/C23H30O8/c1-12-11-27-18-16(12)17(25)19-23(31-19,21(26)29-14-7-5-4-6-8-14)10-9-15-22(3,30-15)20(18)28-13(2)24/h11,14-15,17,19-20,25H,4-10H2,1-3H3/t15?,17-,19?,20+,22-,23?/m1/s1 |
| InChIKey | IFHVFPIPGFCERI-CIQJKGQASA-N |
| Mol Weight | 434.49 g/mol |
| Molecular Formula | C23H30O8 |
| Exact Mass | 434.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 43dgofTM5A |
|---|---|
| Name | Neolitrane |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30O8 |
| InChI | InChI=1S/C23H30O8/c1-12-11-27-18-16(12)17(25)19-23(31-19,21(26)29-14-7-5-4-6-8-14)10-9-15-22(3,30-15)20(18)28-13(2)24/h11,14-15,17,19-20,25H,4-10H2,1-3H3/t15?,17-,19?,20+,22-,23?/m1/s1 |
| InChIKey | IFHVFPIPGFCERI-CIQJKGQASA-N |
| Molecular Weight | 434.485 g/mol |
| SMILES | O[C@@]1(c2c(occ2C)[C@@]([C@]2(C(O2)CCC2(C1O2)C(OC1CCCCC1)=O)C)(OC(=O)C)[H])[H] |
| SPLASH | splash10-053i-9410000000-6cbf1a18c9269a51f9d8 |
| Source of Spectrum | G4-59-706-8 |
| Wiley ID | 1606362 |