| SpectraBase Compound ID | DOOFbmTUynS |
|---|---|
| InChI | InChI=1S/C26H37ClO10/c1-15-11-19-12-24(35-18(4)29)37-25(19)26(32-5)21(34-17(3)28)13-22(30)33-16(2)9-7-6-8-10-20(15)36-23(31)14-27/h6-8,10,15-16,19-21,24-26H,9,11-14H2,1-5H3/b7-6+,10-8+/t15-,16-,19-,20+,21-,24+,25+,26-/m1/s1 |
| InChIKey | HNRUAMNDAJSRJE-KARHXSABSA-N |
| Mol Weight | 545.0 g/mol |
| Molecular Formula | C26H37ClO10 |
| Exact Mass | 544.207525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGPg23FsU1Q |
|---|---|
| Name | .alpha.-9-o-Chloroleuconolide A3 acetoxyacetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 544.207525081 u |
| Formula | C26H37ClO10 |
| InChI | InChI=1S/C26H37ClO10/c1-15-11-19-12-24(35-18(4)29)37-25(19)26(32-5)21(34-17(3)28)13-22(30)33-16(2)9-7-6-8-10-20(15)36-23(31)14-27/h6-8,10,15-16,19-21,24-26H,9,11-14H2,1-5H3/b7-6+,10-8+/t15-,16-,19-,20+,21-,24+,25+,26-/m1/s1 |
| InChIKey | HNRUAMNDAJSRJE-KARHXSABSA-N |
| Molecular Weight | 545.025 g/mol |
| SMILES | [C@@]12([C@@]([C@@](CC(O[C@@](C\C=C\C=C\[C@@]([C@@](C[C@@]2(C[C@](O1)(OC(=O)C)[H])[H])(C)[H])(OC(=O)CCl)[H])(C)[H])=O)(OC(=O)C)[H])(OC)[H])[H] |