| SpectraBase Compound ID | 9HeU6GHOswx |
|---|---|
| InChI | InChI=1S/C23H36O8/c1-5-19(25)30-18-13-21(27)29-15(3)9-7-6-8-10-17(24)14(2)11-16-12-20(26)31-22(16)23(18)28-4/h6-8,10,14-18,20,22-24,26H,5,9,11-13H2,1-4H3/b7-6+,10-8+/t14-,15-,16-,17+,18-,20?,22+,23+/m1/s1 |
| InChIKey | IZPOLOCKCMESOR-AIJPPIMQSA-N |
| Mol Weight | 440.5 g/mol |
| Molecular Formula | C23H36O8 |
| Exact Mass | 440.241018 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DsXHz4vJuHX |
|---|---|
| Name | Midecanolide A1 hemiacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O8 |
| InChI | InChI=1S/C23H36O8/c1-5-19(25)30-18-13-21(27)29-15(3)9-7-6-8-10-17(24)14(2)11-16-12-20(26)31-22(16)23(18)28-4/h6-8,10,14-18,20,22-24,26H,5,9,11-13H2,1-4H3/b7-6+,10-8+/t14-,15-,16-,17+,18-,20?,22+,23+/m1/s1 |
| InChIKey | IZPOLOCKCMESOR-AIJPPIMQSA-N |
| Molecular Weight | 440.533 g/mol |
| SMILES | OC1O[C@]2([C@](C[C@]([C@](\C=C\C=C\C[C@](OC(C[C@]([C@@]2(OC)[H])(OC(=O)CC)[H])=O)(C)[H])(O)[H])(C)[H])(C1)[H])[H] |
| SPLASH | splash10-0ab9-9510000000-0288aafd5112801c7416 |
| Source of Spectrum | E1-39-2826-3 |
| Wiley ID | 1519194 |