| SpectraBase Compound ID | H7irwF3Xgxm |
|---|---|
| InChI | InChI=1S/C23H36O9/c1-5-19(25)31-18-11-21(27)29-13(3)9-17-16(30-17)7-6-15(24)12(2)8-14-10-20(26)32-22(14)23(18)28-4/h6-7,12-18,20,22-24,26H,5,8-11H2,1-4H3/b7-6+/t12-,13-,14-,15+,16+,17+,18-,20?,22+,23+/m1/s1 |
| InChIKey | LXHJYXVFDBFRKK-SBPVJGNHSA-N |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C23H36O9 |
| Exact Mass | 456.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8PPp6Rr0Apw |
|---|---|
| Name | Maridonolide I hemiacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O9 |
| InChI | InChI=1S/C23H36O9/c1-5-19(25)31-18-11-21(27)29-13(3)9-17-16(30-17)7-6-15(24)12(2)8-14-10-20(26)32-22(14)23(18)28-4/h6-7,12-18,20,22-24,26H,5,8-11H2,1-4H3/b7-6+/t12-,13-,14-,15+,16+,17+,18-,20?,22+,23+/m1/s1 |
| InChIKey | LXHJYXVFDBFRKK-SBPVJGNHSA-N |
| Molecular Weight | 456.532 g/mol |
| SMILES | O[C@]1(\C=C\[C@@]2(O[C@]2(C[C@](OC(C[C@]([C@@]([C@@]2([C@@](CC(O2)O)(C[C@]1(C)[H])[H])[H])(OC)[H])(OC(=O)CC)[H])=O)(C)[H])[H])[H])[H] |
| SPLASH | splash10-0aba-9000000000-852ddedb85a6e625e685 |
| Source of Spectrum | E1-39-2828-4 |
| Wiley ID | 1519183 |